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Profile: ChemBest is a contract research company focused on the discovery of new moleculars. ChemBest provides a wide range of high quality research chemicals and biochemicals including novel life-science reagents, reference compounds and Natural compounds for laboratory and scientific use,with on-time delivery at competitive pricing. Besides, We offer synthesis services of organic compounds for the pharmaceutical, drug discovery and biopharma industries and supplies chemicals including regular reagents, fine chemicals, and pharmaceutical intermediates and so on. The volume of our products ranges from milligrams to kilograms scale. Our Featured Categories include Cancer Research Reagents & Antineoplastic Agents, Stem Cell Research Reagents, Signaling Pathway Inhibitors,Bioactive Small Molecules & Small Molecule Libraries, Peptide Research Reagents, Bioactive Peptides, Natural Bioactive Compounds, Drug Impurities, Monoclonal Antibodies (MABs), Novel Life Science Reagents, Biological Reagents & Inhibitors& Compound Libraries. Our Services: Custom Synthesis of Pharmaceutical Intermediates, Peptides, Drug Impurities, Natural Compounds & Reference Compounds. Our customers come from pharmaceutical and biotech companies, universities, research institutions.Customer satisfaction is guaranteed.We are dedicated to providing scientists world-wide an easy access to the most innovative life science reagents, and to help them make more significant discoveries. If you have any suggestions, problems or complaints regarding our products or services please let us know. We always welcome your feedback and comments. Welcome to ChemBest Research Laboratories Limited, Enjoy your one-stop shopping now! Brefeldin A CAS No.:20350-15-6 Laduviglusib | CHIR-99021 CAS No.:252917-06-9 Y-27632 Dihydrochloride CAS No.:129830-38-2 RepSox (ALK5 Inhibitor II) CAS No.:446859-33-2 Nintedanib Ethanesulfonate Salt | BIBF 1120 CAS No.:656247-18-6 Streptozotocin | Streptozocin | Streptozocin CAS No.:18883-66-4

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• A-674563
IUPAC Name: (2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine | CAS Registry Number: 552325-73-2
Synonyms: A674563, (2s)-1-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-Phenylpropan-2-Amine, SureCN2191602, cc-293, CHEMBL379218, MolPort-021-804-899, BCP9000207, CS-0486, DB08568, QC-7249, NCGC00263147-01, HY-13254, X7452, A 674563, 5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole, A-674563;552325-73-2, A-674563|552325-73-2|A674563, (S)-1-(5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine, SS3

Molecular Formula: C22H22N4OMolecular Weight: 358.436280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BPNUQXPIQBZCMR-IBGZPJMESA-N

• A-966492
IUPAC Name: 2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide | CAS Registry Number: 934162-61-5
Synonyms: SureCN526635, CHEMBL1090467, QCR-142, CHEBI:722190, BCP9000210, EX-7208, KB-47023, X7570, A24882, A966492, A 966492, 2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide, 2-(2-fluoro-4-((S)-pyrrolidin-2-yl)phenyl)-3H-benzo[d]imidazole-4-carboxamide, 2-(2-fluoro-4-((S)-pyrrolidin-2-yl)phenyl)-3H-benzo[d]imidazole-4-carboxamidef

Molecular Formula: C18H17FN4OMolecular Weight: 324.352183 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AHIVQGOUBLVTCB-AWEZNQCLSA-N

• Abiraterone
IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 154229-19-3
Synonyms: UNII-G819A456D0, CHEBI:522175, CID132971, ZINC03797541, CB 7598, CB-7598, 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-, (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C24H31NOMolecular Weight: 349.509040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

• Abiraterone acetate
IUPAC Name: [(3S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | CAS Registry Number: 154229-18-2
Synonyms: UNII-EM5OCB9YJ6, CB 7630, CB-7630, CID132970, LS-182008, 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-

Molecular Formula: C26H33NO2Molecular Weight: 391.545720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UVIQSJCZCSLXRZ-HMMZIKKISA-N

• ABT-869 (Linifanib)
IUPAC Name: 1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea | CAS Registry Number: 796967-16-3
Synonyms: ABT-869, ABT 869, CHEBI:471147, CID11485656, EC-000.2119, N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea, 1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea, N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N1-(2-fluoro-5-methylphenyl)urea, N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N'-(2-fluoro-5-methylphenyl)urea, Urea, N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)-

Molecular Formula: C21H18FN5OMolecular Weight: 375.398923 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: MPVGZUGXCQEXTM-UHFFFAOYSA-N

• AC220
IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea | CAS Registry Number: 950769-58-1
Synonyms: Quizartinib, AC-220, AC 220, AC010220, AC-220, AC220, AC220,Quizartinib, S1526_Selleck, AC220 - Quizartinib, SureCN72923, Quizartinib (USAN/INN), Quizartinib [USAN:INN], cc-62, UNII-7LA4O6Q0D3, CHEMBL576982, CHEBI:673133, BCPP000443, HMS3244K09, HMS3244K10, HMS3244L09, HMS3265G09

Molecular Formula: C29H32N6O4SMolecular Weight: 560.667180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CVWXJKQAOSCOAB-UHFFFAOYSA-N

• Aconitine
Synonyms: aconitine, CHEBI:2430, NSC56464, STOCK1N-54397, CID245005, NCI60_004380, C06091, 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate, 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate

Molecular Formula: C34H47NO11Molecular Weight: 645.737080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: XFSBVAOIAHNAPC-XTHSEXKGSA-N

• Agomelatine
IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide | CAS Registry Number: 138112-76-2
Synonyms: Valdoxan, Thymanax, Agomelatine [INN], Valdoxan (TN), Agomelatine (INN), AGO-178, AGO178, C15H17NO2, AGO 178, CID82148, PDSP1_001305, PDSP1_001784, PDSP2_001289, PDSP2_001767, LS-9830, S20098, N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide, N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide, S 20098, S-20098

Molecular Formula: C15H17NO2Molecular Weight: 243.300980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N

• Alfacalcidol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Alprostadil
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 745-65-3
Synonyms: alprostadil, Prostaglandin E1, Befar, Prostandin, Prostavasin, Caverject, Topiglan, Femprox, Sugiran, Viridal, Alista, Prink, Edex, Muse, FemLife, Prostin VR, Alprox-TD, PGE1, PGE1 Oligomer, Befar (TN)

Molecular Formula: C20H34O5Molecular Weight: 354.480960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N

• Alvimopan
IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid | CAS Registry Number: 156053-89-3
Synonyms: Alvimopan anhydrous, UNII-Q153V49P3Z, CHEBI:535293, 170098-38-1 (dihydrate), CID5488548, LY246736, trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine, 2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid, Glycine, N-((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-

Molecular Formula: C25H32N2O4Molecular Weight: 424.532580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UPNUIXSCZBYVBB-JVFUWBCBSA-N

• AMD 3100 Octahydrochloride
IUPAC Name: 1-[[4-(1,5,8,12-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,5,8,12-tetrazacyclotetradecane | CAS Registry Number: 155148-31-5
Synonyms: Plerixafor, Mozobil, bicyclam JM-2987, AMD3100, Amd 3100, SDZ SID 791, SID791, UNII-S915P5499N, GNA & AMD-3100, HHA & AMD-3100, CHEBI:120346, AIDS025303, AIDS224013, AIDS224020, AIDS-025303, AIDS-224013, AIDS-224020, AMD-3100, CID65015, JM 3100

Molecular Formula: C28H54N8Molecular Weight: 502.781960 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N

• Amprenavir
IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 161814-49-9
Synonyms: amprenavir, Agenerase, Prozei, Vertex, Vertex VX478, 1hpv, Amprenavir [USAN], Agenerase (TM), Agenerase (TN), GNA & Amprenavir, HHA & Amprenavir, 1t7j, VX-478, VX 478, HSDB 7157, Amprenavir (JAN/USAN/INN), DRG-0258, C25H35N3O6S, CHEBI:40050, KVX-478

Molecular Formula: C25H35N3O6SMolecular Weight: 505.626900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: YMARZQAQMVYCKC-OEMFJLHTSA-N

• Amsacrine
IUPAC Name: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide hydrochloride | CAS Registry Number: 54301-15-4
Synonyms: M-Amsacrine, m-Amsa hydrochloride, Amsacrine hydrochloride, m-AMSA, MLS002153376, A9809_SIGMA, NCI-C03190, NSC 141549, NSC141549, NCGC00093644-01, LS-90297, SMR000875352, EU-0100154, METHANESULFON-M-ANISIDIDE 4'-(9-ACRIDINYLAMINO)-,, 4'-(9-Acridinylamino)methanesulfon-m-aniside monohydrochloride, Methanesulfone-m-anisidine-4'-((9-acridinyl)amino) hydrochloride, Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, monohydrochloride, Methanesulfon-m-anisidine, 4'-((9-acridinyl)amino)-, hydrochloride, Methanesulfonyl-m-anisidine, 4'-(9-acridinylamino)-, monohydrochloride, N-(4-(9-Acridinylamino)-3-methoxyphenyl)-methanesulfonamide monohydrochloride

Molecular Formula: C21H20ClN3O3SMolecular Weight: 429.919800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: WDISRLXRMMTXEV-UHFFFAOYSA-N

• Anacetrapib
IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one | CAS Registry Number: 875446-37-0
Synonyms: UNII-P7T269PR6S, MK0859, MK-0859, CID11556427, CID 11556427

Molecular Formula: C30H25F10NO3Molecular Weight: 637.508432 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: MZZLGJHLQGUVPN-HAWMADMCSA-N

• Angoroside C
IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | CAS Registry Number: 115909-22-3
Synonyms: CID6444153

Molecular Formula: C36H48O19Molecular Weight: 784.754920 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 19

InChIKey: KLQXMRBGMLHBBQ-FUNGFBQYSA-N

• Anidulafungin
Synonyms: Eraxis, Eraxis (TN), Anidulafungin (USAN), D03211

Molecular Formula: C58H73N7O17Molecular Weight: 1140.236920 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 17

InChIKey: JHVAMHSQVVQIOT-SYUWSXCKSA-N

• Antibiotic Ji-20a
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol | CAS Registry Number: 51846-97-0
Synonyms: Antibiotic JI 20A, JI-20 A, BRN 1668513, LS-147000, D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-2-deoxy-

Molecular Formula: C19H39N5O9Molecular Weight: 481.541060 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 14

InChIKey: YQGZDAPJXRYYLX-UHFFFAOYSA-N

• AP24534
IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide | CAS Registry Number: 943319-70-8
Synonyms: PONATINIB, Iclusig, AP-24534, AP-24534, Ponatinib, AP24534, AP 24534, UNII-4340891KFS, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, 3-(2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide, BENZAMIDE, 3-(2-IMIDAZO[1,2-B]PYRIDAZIN-3-YLETHYNYL)-4-METHYL-N-[4-[(4-METHYL-1-PIPERAZINYL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL]-, 0LI, 3-(Imidazo[1,2-B]pyridazin-3-Ylethynyl)-4-Methyl-N-{4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl}benzamide, S1490_Selleck, AP24534,Ponatinib, Ponatinib (USAN/INN), Ponatinib [USAN:INN], AP24534 - Ponatinib, Ponatinib (AP24534), SureCN589260, QCR-6, cc-191

Molecular Formula: C29H27F3N6OMolecular Weight: 532.559490 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-N

• AS 252424
IUPAC Name: 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 900515-16-4
Synonyms: AGN-PC-00D0WV, CTK5G7332, (5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione, 5-((5-(4-Fluoro-2-hydroxyphenyl)furan-2-yl)methylene)thiazolidine-2,4-dione, HMS3244G19, HMS3244G20, HMS3244H19, 1138220-19-5, AG-H-68553, NCGC00185997-03, KB-243175

Molecular Formula: C14H8FNO4SMolecular Weight: 305.281023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: OYYVWNDMOQPMGE-UHFFFAOYSA-N

• ASC-J9
IUPAC Name: (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one | CAS Registry Number: 917813-54-8
Synonyms: Dimethylcurcumin, 52328-98-0, 1,7-Bis-(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one, Curcumin dimethyl ether, ASC J9, ASCJ-9, AC1O53VS, UNII-D60XLY608D, Go-Y025, CHEMBL128748, GO Y025, CHEBI:312538, GO-Y-025, NSC734923, RSC004738, AKOS015891371, CS-0533, LS40141, NSC-734923, AK-48591

Molecular Formula: C23H24O6Molecular Weight: 396.433060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ZMGUKFHHNQMKJI-CIOHCNBKSA-N

• AT-406; SM 406
IUPAC Name: (5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide | CAS Registry Number: 1071992-99-8
Synonyms: AT-406, CHEMBL2158051, AT406, AT 406, SureCN2724374, QCR-136, SM406, SM 406, AT406 (SM-406), CS-0962, RL00314, NCGC00346675-01, HY-15454, Y0357, AT406; AT 406; 1071992-99-8, AT-406|1071992-99-8|AT406|AT 406|SM406|SM 406, (5S,8S,10aR)-N-(diphenylmethyl)-5-[(2S)-2-(methylamino)propanamido]-3-(3-methylbutanoyl)-6-oxo-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide, (5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocine-8-carboxamide, (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide, (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Molecular Formula: C32H43N5O4Molecular Weight: 561.714920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N

• Atazanavir
IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate | CAS Registry Number: 198904-31-3
Synonyms: Latazanavir, Zrivada, Reyataz, Atazanavir sulfate, 2aqu, Atazanavir (INN), Reyataz (TN), Atazanavir [INN:BAN], Reyataz (*1:1 sulfate*), BMS 232632, BMS-232632, CHEBI:37924, HSDB 7339, CGP 73547, AIDS057755, AIDS-057755, CGP-73547, CID148192, DB01072, LS-183909

Molecular Formula: C38H52N6O7Molecular Weight: 704.855480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: AXRYRYVKAWYZBR-GASGPIRDSA-N

• Atazanavir Sulfate
IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; sulfuric acid | CAS Registry Number: 229975-97-7
Synonyms: Reyataz, Atazanavir sulfate, Zrivada, Atanazavir sulfate, Reyataz (TN), Atazanavir sulfate [USAN], Atazanavir sulfate (JAN/USAN), BMS-232632-05, CGP-73547, CID158550, BMS-232632, LS-186585, D01276, 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((-4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt), Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)

Molecular Formula: C38H54N6O11SMolecular Weight: 802.933960 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 13

InChIKey: DQSGVVGOPRWTKI-QVFAWCHISA-N

• Atipamezole
IUPAC Name: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole | CAS Registry Number: 104054-27-5
Synonyms: Antisedan, antipamezole, Antisedan (TN), Atipamezol [Spanish], Atipamezolum [Latin], Atipamezole (USAN/INN), Atipamezole [USAN:BAN:INN], 4-(2-Ethyl-2-indanyl)imidazole, MPV 1248, MPV-1248, C14H16N2, CID71310, PDSP1_001582, PDSP2_001566, ZINC05424171, LS-171901, D03002, 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-

Molecular Formula: C14H16N2Molecular Weight: 212.290240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HSWPZIDYAHLZDD-UHFFFAOYSA-N

• Avanafil
IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide | CAS Registry Number: 330784-47-9
Synonyms: UNII-DR5S136IVO, TA 1790, 330785-17-6, 5-Pyrimidinecarboxamide, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-2-((2S)-2-(hydroxymethyl)-1-pyrrolidinyl)-N-(2-pyrimidinylmethyl)-, 647841-09-6

Molecular Formula: C23H26ClN7O3Molecular Weight: 483.950640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: WEAJZXNPAWBCOA-UHFFFAOYSA-N

• Avasimibe
IUPAC Name: [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate | CAS Registry Number: 166518-60-1
Synonyms: Avasimibe [USAN], Avasimibe (USAN/INN), UNII-28LQ20T5RC, CI-1011, CHEBI:263574, CID166558, CI 1011, LS-28486, D03012, C423185, 2,6-Diisopropylphenyl ((2,4,6-triisopropylphenyl)acetyl)sulfamate, ((2,4,6-Tris(1-methylethyl)phenyl)acetyl)sulfamic acid 2,6-bis(1-methylethyl)phenyl ester, Benzeneacetamide, N-((2,6-bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-, N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)benzeneacetamide, [2-(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 2,6-diisopropyl-phenyl ester, 2,6-bis(1-methylethyl)phenyl ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamate, N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-benzeneacetamide

Molecular Formula: C29H43NO4SMolecular Weight: 501.721020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PTQXTEKSNBVPQJ-UHFFFAOYSA-N

• Avosentan
IUPAC Name: N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide | CAS Registry Number: 290815-26-8
Synonyms: SPP301, UNII-L94KSX715K, SPP 301, CID9912992, Ro 67-0565, C484919, L001646, 2-Pyridinesulfonamide, N-(6-methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl)-5-methyl-, 5-methylpyridine-2-sulfonic acid (6-methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)amide, N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-5-methyl-pyridine-2-sulfonamide

Molecular Formula: C23H21N5O5SMolecular Weight: 479.508340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: YBWLTKFZAOSWSM-UHFFFAOYSA-N

• Axitinib
IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide | CAS Registry Number: 319460-85-0
Synonyms: Axitinib [USAN], AG-013736, CID6450551, AG-13736, AG 013736, Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-, N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide, 790713-39-2

Molecular Formula: C22H18N4OSMolecular Weight: 386.469520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

• AZD-4547
IUPAC Name: N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide | CAS Registry Number: 1035270-39-3
Synonyms: AZD4547, AZD 4547, SureCN63884, UNII-2167OG1EKJ, QCR-89, CHEBI:63453, BCP9000364, RL00169, NCGC00346713-01, KB-74810, N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide, N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide, rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide

Molecular Formula: C26H33N5O3Molecular Weight: 463.571920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: VRQMAABPASPXMW-HDICACEKSA-N

• Azetidine-3-carboxylic methyl ester hrdrochloride
IUPAC Name: methyl azetidine-3-carboxylate;hydrochloride | CAS Registry Number: 100202-39-9
Synonyms: Methyl azetidine-3-carboxylate hydrochloride, methyl azetidine-3-carboxylate HCl, Azetidine-3-Methyl carboxylate Hydrochloride, 3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDE, Azetidine-3-carboxylic acid methyl ester hydrochloride, PubChem23516, ACMC-209tka, SureCN364708, KSC496A1F, CTK3J6012, MolPort-003-982-079, Azetidine-3-carboxylic acid methyl, HT877, QC-21, ANW-42584, HT1176, AKOS015845781, AC-5894, AG-F-43663, PB17252

Molecular Formula: C5H10ClNO2Molecular Weight: 151.591400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N

• Bendamustine Hydrochloride
IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid hydrochloride | CAS Registry Number: 3543-75-7
Synonyms: Cytostasan, Treanda, Ribomustin, Ribomustin (TN), Treanda (TN), Bendamustine hydrochloride, Bendamustin hydrochloride, IMET 3393, CCRIS 1864, SDX 105, NSC 138783, NSC138783, Bendamustine hydrochloride (JAN/USAN), LS-33224, D07085, WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH, 2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride, gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid [German], .gamma.(1-Methyl-5-bis(.beta.-chloraethyl)aminobenzimidazolyl)buttersaeurehydrochlorid, .gamma.-[1-Methyl-5-bis(.beta.-chloroaethyl)aminobenzimidazoyl]buttersauere hydrochlorid

Molecular Formula: C16H22Cl3N3O2Molecular Weight: 394.723780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZHSKUOZOLHMKEA-UHFFFAOYSA-N

• Benzamide, 2-[(2-chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluoro-
IUPAC Name: 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide | CAS Registry Number: 212631-79-3
Synonyms: CI-1040, PD184352, PD 184352, PD-184352, AG-E-55891, NCGC00189074-01, 2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide, 2-[(2-CHLORO-4-IODOPHENYL)AMINO]-N-(CYCLOPROPYLMETHOXY)-3,4-DIFLUOROBENZAMIDE, DSSTox_CID_28871, DSSTox_RID_83140, DSSTox_GSID_48945, PD184352, CI1040, C.I. 1040, CAS-212631-79-3, CI 1040, S1020_Selleck, AC1OCFGE, cc-384, CHEMBL105442, QCR-25

Molecular Formula: C17H14ClF2IN2O2Molecular Weight: 478.659536 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GFMMXOIFOQCCGU-UHFFFAOYSA-N

• Benzeneacetonitrile, 4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-a,a-dimethyl-
IUPAC Name: 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile | CAS Registry Number: 915019-65-7
Synonyms: NVP-BEZ235, BEZ235, BEZ-235, NVP-BEZ 235, BEZ 235, NVPBEZ235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile, NVP BEZ235, S1009_Selleck, Kinome_2911, NVP-BEZ-235, CHEBI:71952, MolPort-005-737-784, NVP-BEZ235, BEZ235, ZINC24760115, ST51056474, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile, S14-0511, dactolisib, 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

Molecular Formula: C30H23N5OMolecular Weight: 469.536520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JOGKUKXHTYWRGZ-UHFFFAOYSA-N

• Benzyl 3-(hydroxymethyl)azetidine-1-carboxylate
IUPAC Name: benzyl 3-(hydroxymethyl)azetidine-1-carboxylate | CAS Registry Number: 618446-42-7
Synonyms: BENZYL 3-(HYDROXYMETHYL)AZETIDINE-1-CARBOXYLATE, 1-CBZ-AZETIDINE-3-YL METHANOL, AG-G-25998, SureCN3154275, ACMC-1B4J1, CTK5B3826, MolPort-003-982-183, HT846, AB2656, ANW-33960, SBB068278, ZINC39952166, AKOS014514233, PB16098, RP27324, 1-CBZ-3-(HYDROXYMETHYL)AZETIDINE, AK-59500, KB-75450, AM20040872, FT-0652649

Molecular Formula: C12H15NO3Molecular Weight: 221.252400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BUUQZVRTLWYKDL-UHFFFAOYSA-N

• benzyl 3-cyanoazetidine-1-carboxylate
IUPAC Name: benzyl 3-cyanoazetidine-1-carboxylate | CAS Registry Number: 288851-42-3
Synonyms: 1-Cbz-3-Cyanoazetidine, 3-CYANO-1-CBZ-AZETIDINE, SureCN14539329, CTK4G2338, MolPort-003-982-181, HT835, ANW-44865, AKOS015836415, AG-L-59898, PB10880, RP26974, AK-40817, KB-70713, AM20040101, FT-0687404, A-5801, I14-20441, 3-CYANO-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 1-AZETIDINECARBOXYLIC ACID, 3-CYANO-, PHENYLMETHYL ESTER, 288851-42-3 3-Cyano-azetidine-1-carboxylic acid benzyl ester

Molecular Formula: C12H12N2O2Molecular Weight: 216.235880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OWGOVPJMOBRPON-UHFFFAOYSA-N

• Beraprost Sodium
IUPAC Name: 4-[2-hydroxy-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid | CAS Registry Number: 88475-69-8
Synonyms: beraprost, Beraprost [USAN:INN], Beraprostum [INN-Latin], TRK 100, TRK-100, MDL 201229, C24H30O5, ML 1229, CID5282428, LS-57736, (+-)-(1R,2R,3aS,8bS)-2,3,3a,8b-Tetrahydro-2-hydroxy-1-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-1H-cyclopenta(b)benzofuran-5-butyric acid, 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-, 2-Hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta(b)benzofuran-5-butanoic acid, 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-, monosodium salt, 4-(1,2,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyloct-6-yne-1-enyl)-5-cyclopenta(b)benzofuranyl)butyrate, 88430-50-6

Molecular Formula: C24H30O5Molecular Weight: 398.492000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CTPOHARTNNSRSR-OUKQBFOZSA-N

• Besifloxacin Hydrochloride
IUPAC Name: 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride | CAS Registry Number: 405165-61-9
Synonyms: Besivance, Besifloxacin HCl, UNII-7506A6J57T, CID10224595, CID 10224595

Molecular Formula: C19H22Cl2FN3O3Molecular Weight: 430.300683 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: PMQBICKXAAKXAY-HNCPQSOCSA-N

• Bestatin
IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 58970-76-6
Synonyms: Ubenimex, Ubestatin, Ubenimexum [Latin], 1txr, Ubenimex [INN:JAN], Bestatin hydrochloride, Tocris-1956, Lopac0_000214, BSPBio_001553, KBioGR_000273, KBioSS_000273, MLS000028649, MLS001424177, 482609_ALDRICH, BCBcMAP01_000178, EINECS 261-529-2, KBio2_000273, KBio2_002841, KBio2_005409, KBio3_000545

Molecular Formula: C16H24N2O4Molecular Weight: 308.372760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N

• Bexarotene
IUPAC Name: 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid | CAS Registry Number: 153559-49-0
Synonyms: Targretin, Targretyn, Targrexin, Bexarotene [USAN], LG69 compound, Targretin (TN), 3-methyl-TTNEB, Elan brand of bexarotene, Bexarotene (USAN/INN), Ligand brand of bexarotene, LGD 1069, CHEBI:50859, HSDB 7453, LGD1069, C24H28O2, CID82146, LG 1069, LGD-1069, LG1069, LG100069

Molecular Formula: C24H28O2Molecular Weight: 348.477920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N

• BIBF 1120
IUPAC Name: methyl (3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate | CAS Registry Number: 928326-83-4
Synonyms: Vargatef, BIBF-1120, BIBF1120, Nintedanib, Vargatef, BIBF1120, (Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate, 656247-17-5, S1010_Selleck, BIBF1120,Vargatef, PubChem20543, Bibf1120 - Vargatef, Nintedanib (USAN/INN), Vargatef, BIBF 1120, cc-88, SureCN431006, CHEMBL502835, QCR-43, CHEBI:622730, RS0107, AKOS005145820

Molecular Formula: C31H33N5O4Molecular Weight: 539.624820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: XZXHXSATPCNXJR-ZIADKAODSA-N

• Bimatoprost
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide | CAS Registry Number: 155206-00-1
Synonyms: Lumigan, Latisse, Lumigan (TN), Bimatoprost (USAN/INN), Bimataprost [USAN:INN:BAN], AGN 192024, CHEBI:51230, AGN-192024, CID5311027, DB00905, NCGC00181745-01, LS-181817, D02724, (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide, 5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-, 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydrdoxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-, (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide, (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide, 15M, 267244-98-4

Molecular Formula: C25H37NO4Molecular Weight: 415.565580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: AQOKCDNYWBIDND-FTOWTWDKSA-N

• BIX 02188
IUPAC Name: (3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxamide | CAS Registry Number: 334949-59-6
Synonyms: BIX-02188, BIX02188, 1094614-84-2, UNII-4Y3VYY2X83, AKOS015966567, CS-0214, RL03227, HY-12055, KB-48105, BIX02188|334949-59-6|BIX-02188, (3Z)-3-[[[3-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indole-6-carboxamide

Molecular Formula: C25H24N4O2Molecular Weight: 412.483660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FSZPIAXLCCQFCM-FCQUAONHSA-N

• Bleomycin Sulfate
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium | CAS Registry Number: 9041-93-4
Synonyms: bleomycin, Bleomycins, Bleomicin, Bleocin, bleomycin a2, bleomycin B2, Bleomycin A(2), Bleomycin B(2), Bleomycine [INN-French], Bleomycinum [INN-Latin], Bleomicina [INN-Spanish], CCRIS 2754, HSDB 3208, NSC 125066, C55H85N17O21S3, LMPK03000007, LS-524, NDC 0015-3010, 11056-06-7, 1400-95-9

Molecular Formula: C55H84N17O21S3+Molecular Weight: 1415.551760 [g/mol]
H-Bond Donor: 20H-Bond Acceptor: 30

InChIKey: OYVAGSVQBOHSSS-WXFSZRTFSA-O

• BMS-540215
IUPAC Name: (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol | CAS Registry Number: 649735-46-6
Synonyms: Brivanib, UNII-DDU33B674I, CHEBI:443041, BMS540215, AC-5252, BMS 540215, CID11234052, CID 11234052, (R)-1-(4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yloxy)propan-2-ol, (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol, (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol, 2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-, (2R)-

Molecular Formula: C19H19FN4O3Molecular Weight: 370.377563 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WCWUXEGQKLTGDX-LLVKDONJSA-N

• BMS-754807
IUPAC Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide | CAS Registry Number: 1001350-96-4
Synonyms: BMS754807, BMS 754807, BMS754807, 1001350-96-4, (2S)-1-[4-[(5-Cyclopropyl-1h-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridyl)-2-methyl-pyrrolidine-2-carboxamide, SureCN1810808, cc-531, CHEMBL575448, CHEBI:670962, ABP000496, DNC014870, AKOS015949394, BCP9000431, CS-0608, RP08097, NCGC00346453-01, HY-10200, KB-75642, BRD-K13049116-001-02-4, BMS-754807,CAS:1001350-96-4, BMS-754807|1001350-96-4|BMS754807

Molecular Formula: C23H24FN9OMolecular Weight: 461.494763 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: LQVXSNNAFNGRAH-QHCPKHFHSA-N

• Boceprevir
IUPAC Name: (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | CAS Registry Number: 394730-60-0
Synonyms: CHEBI:460720, SCH503034, SCH 503034, CID10324367, (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxypropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide, 1-((S)-1-((1R,2S,5S)-2-((4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl)-3-tert-butylurea

Molecular Formula: C27H45N5O5Molecular Weight: 519.676700 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: LHHCSNFAOIFYRV-DOVBMPENSA-N

• Bosutinib
IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | CAS Registry Number: 380843-75-4
Synonyms: Bosutinib (USAN), Bosutinib [USAN], SKI-606, CHEBI:39112, SKI 606, K00615a, CID5328940, D03252, 3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Molecular Formula: C26H29Cl2N5O3Molecular Weight: 530.446160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

• Brefeldin A
IUPAC Name: (1R,2S,3E,7S,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one | CAS Registry Number: 20350-15-6
Synonyms: Ascotoxin, brefeldin A, Decumbin, Cyanein, Lunatin, Nectrolide, Synergisidin, Cyanaein, (+)-Brefeldin A, Pfizer B 174987, NSC56310, NSC89671, PFIZER B174987, NSC107456, NSC244390, AIDS003358, Antibiotic from Penicillium cyaneum, AIDS-003358, CID5351204, B 174987

Molecular Formula: C16H24O4Molecular Weight: 280.359360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KQNZDYYTLMIZCT-PNFJWZTBSA-N


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