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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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• Sunitinib malate
IUPAC Name: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid | CAS Registry Number: 341031-54-7
Synonyms: Sutent, Sutent (TN), Sunitinib malate [USAN], SU011248 L-malate salt, SU-11248 L-malate salt, PHA-290940AD, Sunitinib malate (JAN/USAN), SU-011248 L-malate salt, PNU-290940AD, SU010398, CID6456015, SU 011248, SU011248, LS-186078, SU-010398, TL8002546, D06402, Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)

Molecular Formula: C26H33FN4O7Molecular Weight: 532.561223 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: LBWFXVZLPYTWQI-IPOVEDGCSA-N

• Tacalcitol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 57333-96-7
Synonyms: tacalcitol, Curatoderm, Bonalfa, Vellutan, Apsor, Tacalcitol [INN:JAN], Tacalcitolum [INN-Latin], TV-02HS, CCRIS 4211, TV-02, TV-02H, 1,24(R)-Dihydroxyvitamin D3, TV 02, 1alpha,24(R)-Dihydroxyvitamin D3, PRI 2191, PRI-2191, LMST03020256, 1-alpha,24(R)-Dihydroxyvitamin D3, (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol, (1-alpha,3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: BJYLYJCXYAMOFT-RSFVBTMBSA-N

• Tandutinib
IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide | CAS Registry Number: 387867-13-2
Synonyms: Tandutinib (USAN/INN), MLN-518, MLN 518, MLN-0518, NSC726292, CID3038522, CT53518, CT 53518, CT-53518, D06005, (4-(6-Methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamide, 1-Piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-N-(4-(1-methylethoxy)phenyl)-

Molecular Formula: C31H42N6O4Molecular Weight: 562.702980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UXXQOJXBIDBUAC-UHFFFAOYSA-N

• Tariquidar
IUPAC Name: N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide | CAS Registry Number: 206873-63-4
Synonyms: tariquidarth, Tariquidar (USAN/INN), UNII-J58862DTVD, CHEBI:359664, XR9576, XR 9576, CID148201, D06008, C402343, N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide, 1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]phenyl}-4,5-dimethoxy-2-(3-quinolylcarboxamido)benzamide, 3-Quinolinecarboxamide, N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)-

Molecular Formula: C38H38N4O6Molecular Weight: 646.731520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: LGGHDPFKSSRQNS-UHFFFAOYSA-N

• Temoporfin
IUPAC Name: 3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol | CAS Registry Number: 122341-38-2
Synonyms: Foscan, TEMOPORFIN, m-THPC, meso-Tetrahydroxyphenylchlorin, Temoporfin (USAN/INN), Temoporfin [USAN:BAN:INN], CHEBI:9437, C44H34N4O4, CID60751, LS-172529, C11730, D06066, 3,3',3'',3'''-(7,8-Dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol, 2,3-dihydro-5,10,15,20-tetra(m-hydroxyphenyl)porphyrin, Phenol, 3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, 3,3',3'',3'''-(2,3-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol, 3,3',3',3'''-(7,8-Dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol, EF9, 3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakisphenol, Phenol, 3,3',3',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-

Molecular Formula: C44H32N4O4Molecular Weight: 680.749280 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: LYPFDBRUNKHDGX-UHFFFAOYSA-N

• Teniposide
IUPAC Name: (5R,5aR)-9-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 29767-20-2
Synonyms: teniposide, CID5284623, (8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylidene)-beta-D-glucopyranoside

Molecular Formula: C32H32O13SMolecular Weight: 656.653680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: NRUKOCRGYNPUPR-NFIYYIGVSA-N

• Tert-Butyl (1s,4s)-2,5-Diazabicyclo[2.2.1]heptane-2-Carboxylate
IUPAC Name: tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | CAS Registry Number: 113451-59-5
Synonyms: (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE, AG-D-33263, (1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane, (1S,4S)-N-(tert-Butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane, tert-Butyl (1S,4S)-(-)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, PubChem11461, AC1Q1MVD, SureCN71827, KSC497G3T, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, 473049_ALDRICH, CTK3J7339, MolPort-003-934-056, ANW-52451, QC-690, AKOS005259628, LS30037, RP25618, AK-32190, BP-13323

Molecular Formula: C10H18N2O2Molecular Weight: 198.262120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UXAWXZDXVOYLII-YUMQZZPRSA-N

• tert-butyl 1-benzhydrylazetidin-3-ylcarbamate
IUPAC Name: tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate | CAS Registry Number: 91189-18-3
Synonyms: tert-butyl 1-benzhydryl-3-azetidinylcarbamate, 1-benzhydryl-3-BOC-amino-azetidine, tert-Butyl (1-benzhydrylazetidin-3-yl)carbamate, tert-butyl 1-benzhydrylazetidin -3-ylcarbamate, PubChem19090, AGN-PC-00NXDV, SureCN2793927, CTK7G9170, MolPort-003-981-831, ANW-44253, SC3511, AKOS015915494, AC-4321, AG-B-52263, AG-H-74119, BD23096, MB03790, AK-92989, KB-80852, P214

Molecular Formula: C21H26N2O2Molecular Weight: 338.443340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BIVZFVCCXSAZAR-UHFFFAOYSA-N

• TERT-BUTYL 3-(3-HYDROXYPROPYL)AZETIDINE-1-CARBOXYLATE
IUPAC Name: tert-butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate | CAS Registry Number: 158602-43-8
Synonyms: tert-Butyl 3-(3-hydroxypropyl)azetidine-1-carboxylate, SureCN7401533, CTK4C9750, AKOS015924506, AG-L-60487, AK-93269, KB-145705

Molecular Formula: C11H21NO3Molecular Weight: 215.289340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GTUCWIHPIAGCEC-UHFFFAOYSA-N

• tert-butyl 3-(hydroxymethyl)-1,4-diazepane-1-carboxylate
IUPAC Name: tert-butyl 3-(hydroxymethyl)-1,4-diazepane-1-carboxylate | CAS Registry Number: 1179360-20-3
Synonyms: 1-Boc-3-(Hydroxymethyl)-1,4-diazepane, CTK4B0512, AKOS015841538, AG-L-60489, AK-42109, KB-204675, FT-0084009, FT-0660133, X9230, B-1934

Molecular Formula: C11H22N2O3Molecular Weight: 230.303980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QZEXEMCTCCKSDQ-UHFFFAOYSA-N

• tert-Butyl 3-(hydroxymethyl)morpholine-4-carboxylate
IUPAC Name: tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate | CAS Registry Number: 473923-56-7
Synonyms: Tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate, N-BOC-3-hydroxymethylmorpholine, 4-Boc-(3-Hydroxymethyl)morpholine, AG-F-61272, 3-HYDROXYMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER, AC1NMWKD, SureCN305110, 3-Hydroxymethyl-4-Bocmorpholine, 4-BOC-3-hydroxymethylmorpholine, CTK4I9938, N-Boc-3-Hydroxymethyl morpholine, MolPort-000-004-318, BH054, ACT08798, FC0068, RW3940, AKOS015916426, AB17136, QC-3342, RP27070

Molecular Formula: C10H19NO4Molecular Weight: 217.262160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AIQSXVGBMCJQAG-UHFFFAOYSA-N

• TETRAHYDRO-L-BIOPTERIN 2HCL
IUPAC Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one dihydrochloride | CAS Registry Number: 69056-38-8
Synonyms: Biopten, Biobuden, Phenoptin, Bipten, Kuvan, sapropterin 2HCl, tetrahydrobiopterin, Sapropterin dihydrochloride, Biopten (TN), R-THBP, Dapropterin dihydrochloride, SAPROPTERIN HYDROCHLORIDE, T4425_SIGMA, 6R-BH4, Sapropterin hydrochloride (JAN), CHEBI:32120, Tetrahydrobiopterin dihydrochloride, Sapropterin dihydrochloride (USAN), (6R)-BH4, SUN-0588

Molecular Formula: C9H17Cl2N5O3Molecular Weight: 314.168980 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 7

InChIKey: RKSUYBCOVNCALL-NTVURLEBSA-N

• Thieno[2,3-b]pyridine-5-carbonitrile, 6,7-dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo-
IUPAC Name: 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile | CAS Registry Number: 844499-71-4
Synonyms: A-769662, A 769662, 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, PubChem16661, cc-24, SureCN2669403, CHEMBL512504, CTK8E9331, CHEBI:546780, BCPP000450, ACT04835, AKOS015902474, BCP9000208, QC-6154, NCGC00250373-01, AK117003, KB-47022, FT-0653453, ST51054123, X7459

Molecular Formula: C20H12N2O3SMolecular Weight: 360.385880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CTESJDQKVOEUOY-UHFFFAOYSA-N

• Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-
IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine | CAS Registry Number: 957054-30-7
Synonyms: GDC-0941, GDC0941, GDC 0941, Pictrelisib, S1065_Selleck, Kinome_3719, CHEMBL521851, 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine, CHEBI:65326, GDC-0941, GDC0941, 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine, GD9, 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine, 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine, Pictrelisib [INN], Pictilisib (USAN), PICTILISIB, PubChem16427, nchembio.293-comp12

Molecular Formula: C23H27N7O3S2Molecular Weight: 513.635580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: LHNIIDJUOCFXAP-UHFFFAOYSA-N

• Toosendanin
Synonyms: Chuanliansu, BRN 1674886, CID115060, LS-185054, 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (1-alpha,3-alpha,4-beta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-, 58812-37-6, 66052-48-0

Molecular Formula: C30H38O11Molecular Weight: 574.616120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: NAHTXVIXCMUDLF-SLWGVJJJSA-N

• TOOSENDANIN, 90% BY HPLC
Synonyms: Chuanliansu, Toosendanin, BRN 1674886, CID115060, LS-185054, 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (1-alpha,3-alpha,4-beta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-, 66052-48-0, 79304-40-8

Molecular Formula: C30H38O11Molecular Weight: 574.616120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: NAHTXVIXCMUDLF-SLWGVJJJSA-N

• Topotecan Hydrochloride
Synonyms: Hycamtin, Topotecan Hcl, topotecan, Hycamptamine, Evotropin, Hycamtin (TN), TOPOTECAN HYDROCHLORIDE, Nogitecan hydrochloride, Hycamptamine hydrochloride, Topotecan monohydrochloride, Ambap3996, Topotecan hydrochloride [USAN], MLS001401447, C23H23N3O5.HCl, SPECTRUM1505820, Nogitecan hydrochloride (JAN), Topotecan hydrochloride (USAN), DRG-0288, SK&F S-104864-A, NSC-609699

Molecular Formula: C23H24ClN3O5Molecular Weight: 457.906760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: DGHHQBMTXTWTJV-BQAIUKQQSA-N

• Torin 1
IUPAC Name: 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one | CAS Registry Number: 1222998-36-8
Synonyms: 1-[4-[4-(1-Oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h]-1,6-naphthyridin-2(1H)-one, Torin1, Torin-1, SureCN7919574, cc-274, MLS003230943, CHEMBL1256459, CHEBI:805446, MolPort-020-237-578, HMS3265O03, HMS3265O04, HMS3265P03, HMS3265P04, CS-0237, RL01009, NCGC00263215-01, NCGC00263215-02, HY-13003, KB-81187, SMR001913508

Molecular Formula: C35H28F3N5O2Molecular Weight: 607.624330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: AKCRNFFTGXBONI-UHFFFAOYSA-N

• Trastuzumab (CAS: 180288-69-1)
• Travoprost
IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate | CAS Registry Number: 157283-68-6
Synonyms: Travatan, Travatan Z, Travatanz, Travatan Alcon, Travatan (TN), Travoprost [USAN], Travoprost (JAN/USAN/INN), (+)-Fluprostenol isopropyl ester, C26H35F3O6, AL-6221, AL6221, DB00287, LS-173521, D01964, (((1R)-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester, (1R-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-7-(3,5-Dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-5-heptenoic acid, 1-methylethyl ester, (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3R)-3-hydroxy-4-((alpha,alpha,alpha-trifluoro-m-isopropyl-tolyl)oxy)-1-butenyl)cyclopentyl)-5-heptenoate, 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl ester, (5Z)-, 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1alpha(Z),2beta(1E,3R*),3alpha,5alpha))-, 5-Heptenoic acid,7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-,1-methylethyl ester,(5Z)

Molecular Formula: C26H35F3O6Molecular Weight: 500.547710 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: MKPLKVHSHYCHOC-AHTXBMBWSA-N

• Triptolide
Synonyms: triptolide, Triptolid, Triptolide (9CI), BSPBio_001595, KBioGR_000315, KBioSS_000315, MLS000759410, MLS001424107, PG490, KBio2_000315, KBio2_002883, KBio2_005451, KBio3_000629, KBio3_000630, Bio2_000315, Bio2_000795, NSC 163062, C20H24O6, CID107985, NSC163062

Molecular Formula: C20H24O6Molecular Weight: 360.400960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-N

• TW-37
IUPAC Name: N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide | CAS Registry Number: 877877-35-5
Synonyms: TW37, TW 37, 877877-35-5, TW37, TW-37, N-[4-[(2-tert-Butylphenyl)sulfonyl]phenyl]-2,3,4-trihydroxy-5-[(2-isopropylphenyl)methyl]benzamide, S1121_Selleck, tw 37, AGN-PC-009GUY, cc-342, CHEMBL217354, TW37, CHEBI:460439, MolPort-020-008-064, BCPP000030, ABP000129, DNC006894, TW-37-Supplied by Selleck Chemicals, AKOS015966872, CS-0155, RL05469, NCGC00263208-01, HY-12020

Molecular Formula: C33H35NO6SMolecular Weight: 573.699100 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: PQAPVTKIEGUPRN-UHFFFAOYSA-N

• Ulipristal-Acetate
IUPAC Name: [(8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate | CAS Registry Number: 126784-99-4
Synonyms: uliprisnil acetate, Ulipristal acetate, Hrp-2000, HRP 2000, CHEBI:531376, CDB 2914, CID130904, VA 2914, RTI 3021-012, RU 44675, 17-Acetoxy-11-(4-N,N-dimethylaminophenyl)pregna-4,9-diene-3,20-dione, (11beta)-17-(Acetyloxy)-11-(4-(dimethylamino)phenyl)-19-norpregna-4,9-diene-3,20-dione, 136960-00-4, 19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(dimethylamino)phenyl)-, (11beta)-, 199015-61-7

Molecular Formula: C30H37NO4Molecular Weight: 475.619080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OOLLAFOLCSJHRE-ZHAKMVSLSA-N

• Urea, N-[3-(1,1-Dimethylethyl)-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-N'-[4-[2-(4-Morpholinyl)ethoxy]-1-Naphthalenyl]-
IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | CAS Registry Number: 285983-48-4
Synonyms: Doramapimod, nchembio.162-comp7, BIRB-796, 1kv2, UNII-HO1A8B3YVV, Doramapimod (USAN/INN), BIRB 796, CID156422, DB03044, D03736, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, B96, 1-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl)urea, 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea, Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-

Molecular Formula: C31H37N5O3Molecular Weight: 527.657180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

• VALSPODAR
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | CAS Registry Number: 121584-18-7
Synonyms: Valspodar, Amdray, Cyclosporin A der., Amdray (TN), Sdz psc 833, Sdz-psc-833, Valspodar (USAN/INN), Psc 833, SDZ-PSC 833, PSC-833, AIDS081103, AIDS-081103, 3'-Keto-bmt(1)-val(2)-cyclosporin A, CID5281884, C11213, D06277, Cyclosporin D, 6-[(2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoic acid]-, Cyclosporin A, 6-((R-(E))-6,7-didehydro-N,4-dimethyl-3-oxo-L-2-aminooctanoic acid)-7-L-valine-

Molecular Formula: C63H111N11O12Molecular Weight: 1214.621940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: YJDYDFNKCBANTM-QCWCSKBGSA-N

• Varespladib
IUPAC Name: 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid | CAS Registry Number: 172732-68-2
Synonyms: Varespladib sodium, Varepladib [INN], Varespladib [INN], Varespladib (USAN/INN), CHEBI:348537, MolPort-005-933-324, CID155815, 172733-42-5 (Sodium salt), LY315920, D08107, (3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-acetic acid, (3-Aminooxalyl-1-benzyl-2-ethyl-2,3-dihydro-1H-indol-4-yloxy)-acetic acid, 2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetic acid, Acetic acid, ((3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl)oxy)-,

Molecular Formula: C21H20N2O5Molecular Weight: 380.393900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BHLXTPHDSZUFHR-UHFFFAOYSA-N

• Vatalanib dihydrochloride
IUPAC Name: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride | CAS Registry Number: 212141-51-0
Synonyms: Vatalanib, PTK/ZK, CGP-79787D, NCGC00181350-02, PTK/ZK, CGP-79787D, CGP-79787, ZK-222584, 212141-51-0, ZK-222584, Vatalanib 2HCl, Vatalanib succinate, PTK/ZK, CGP-79787D, CGP-79787, ZK-222584, PTK-787, Vatalanib, S1101_Selleck, N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine Dihydrochloride, SureCN905616, DSSTox_CID_28999, DSSTox_RID_83264, DSSTox_GSID_49073, cc-530, Tox21_113631, AKOS005146306, CS-0149, EX-8584, RL02615

Molecular Formula: C20H17Cl3N4Molecular Weight: 419.734780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AZUQEHCMDUSRLH-UHFFFAOYSA-N

• VE-821
IUPAC Name: 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide | CAS Registry Number: 1232410-49-9
Synonyms: SureCN2483543, CHEMBL1766779, CHEBI:1241816, VE 821, CS-0238, NCGC00346444-01, HY-14731, VE-821|1232410-49-9|VE 821, 3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide, S8007, VE821, VE 821, 1232410-49-9

Molecular Formula: C18H16N4O3SMolecular Weight: 368.409640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: DUIHHZKTCSNTGM-UHFFFAOYSA-N

• Velcade
IUPAC Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid | CAS Registry Number: 179324-69-7
Synonyms: Bortezomib, Pyz-Phe-boroLeu, Velcade (TN), DPBA, PROSCRIPT BORONIC ACID, Bortezomib (JAN/USAN/INN), PS-341, Ps 341, LDP-341, LPD 341, LPD-341, MLN-341, AIDS004352, AIDS-004352, CID387447, NSC681239, NSC-681239, NCI60_029010, D03150, BO2

Molecular Formula: C19H25BN4O4Molecular Weight: 384.237200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: GXJABQQUPOEUTA-RDJZCZTQSA-N

• VERATRAMINE
IUPAC Name: 2-[1-(3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl)ethyl]-5-methylpiperidin-3-ol | CAS Registry Number: 60-70-8
Synonyms: NSC23880, NSC17821, MolPort-001-812-879, AIDS011940, AIDS-011940, CID229854, GPN001245, NCI60_001915, 14,15,16,17-Tetradehydroveratraman-3,23-diol, Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3.beta.,23.beta.)-, WLN: L D6 B566 LU&TTTJ A1 E1 OQ FY1&- BT6MTJ CQ E1

Molecular Formula: C27H39NO2Molecular Weight: 409.604060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: MALFODICFSIXPO-UHFFFAOYSA-N

• Verteporfin
Synonyms: Visudyne, Visudyne (TN), VERTEPORFIN, Verteporfin (JAN/USAN/INN), NCGC00017148-01, CAS-129497-78-5, D01162

Molecular Formula: C82H84N8O16Molecular Weight: 1437.588360 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 24

InChIKey: NJLRKAMQPVVOIU-IDLGWYNRSA-N

• VICRIVIROC MALEATE; SCH-D
IUPAC Name: (Z)-but-2-enedioic acid; (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone | CAS Registry Number: 599179-03-0
Synonyms: Vicriviroc maleate, SCH-D, Vicriviroc maleate (USAN), UNII-EP3QG127N9, Sch 417690, MolPort-005-933-298, AC-820, CID6451165, D06297

Molecular Formula: C32H42F3N5O6Molecular Weight: 649.700990 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 13

InChIKey: GXINKQQWHLIBJA-UCIBKFKQSA-N

• Vorinostat
IUPAC Name: N'-hydroxy-N-phenyloctanediamide | CAS Registry Number: 149647-78-9
Synonyms: Zolinza, SAHA, SAHA cpd, Vorinostat MSD, suberoylanilide hydroxamic acid, Suberanilohydroxamic acid, M344 compound, Zolinza (TN), Vorinostat (USAN), Vorinostat [USAN], NHNPODA, nchembio815-comp18, N-hydroxy-N'-phenyloctanediamide, 1zz1, CCRIS 8456, MLS001065855, N-Hyrdroxy-N'-phenyloctanediamide, Octanediamide, N-hydroxy-N'-phenyl-, SKI390, N'-hydroxy-N-phenyloctanediamide

Molecular Formula: C14H20N2O3Molecular Weight: 264.320200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N

• Vx-680
IUPAC Name: N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide | CAS Registry Number: 639089-54-6
Synonyms: Tozasertib, 2f4j, VX-680, MLS001065920, MK-0457, CID5494449, SMR000486395, VX6, Cyclopropanecarboxamide, N-(4-((4-(4-methyl-1-piperazinyl)-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)thio)phenyl)-, Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide, N-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide

Molecular Formula: C23H28N8OSMolecular Weight: 464.586420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: GCIKSSRWRFVXBI-UHFFFAOYSA-N

• VX-950
IUPAC Name: (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide | CAS Registry Number: 402957-28-2
Synonyms: VX 950, LY 570310, 569364-34-7, Cyclopenta(c)pyrrole-1-carboxamide, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydro-, (1S,3aR,6aS)-

Molecular Formula: C36H53N7O6Molecular Weight: 679.849320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: BBAWEDCPNXPBQM-IGSHNTALSA-N

• VX702
IUPAC Name: 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide | CAS Registry Number: 479543-46-9
Synonyms: VX-702, S6005_Selleck, Kinome_3176, VX 702, CHEMBL1090090, CHEBI:719385, ST51054128, 2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ureido)nicotinamide, 1-(5-carbamoyl-6-(2,4-difluorophenyl)pyridin-2-yl)-1-(2,6-difluorophenyl)urea, I14-1965, VX702, VX-702, 745833-23-2, CID10341154, PubChem22492, SureCN185712, cc-421, CTK8E9206, QCR-232, MolPort-021-805-020, BCPP000016

Molecular Formula: C19H12F4N4O2Molecular Weight: 404.317793 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: FYSRKRZDBHOFAY-UHFFFAOYSA-N

• XL-147
IUPAC Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide | CAS Registry Number: 956958-53-5
Synonyms: XL147, XL 147, SAR245408, N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide, SAR 245408, N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide, XL 147, XL-147, 956958-53-5, N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamide, PubChem22457, cc-43, SureCN1792641, CHEBI:71957, MolPort-016-633-179, ABP000084, STL325024, XL147-Supplied by Selleck Chemicals, AKOS015842552, CS-0088, MCULE-9777093020, PB33271

Molecular Formula: C21H16N6O2S2Molecular Weight: 448.520740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: MQMKRQLTIWPEDM-UHFFFAOYSA-N

• Y-27632 Dihydrochloride
IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide | CAS Registry Number: 146986-50-7
Synonyms: 2etr, 2gnf, 2gnj, 1q8t, BiomolKI_000071, BiomolKI2_000075, Y-27632 dihydrochloride, CBiol_001962, BSPBio_001234, KBioGR_000574, KBioSS_000574, KBio2_000574, KBio2_003142, KBio2_005710, KBio3_001027, KBio3_001028, CHEBI:150239, Bio1_000248, Bio1_000737, Bio1_001226

Molecular Formula: C14H21N3OMolecular Weight: 247.336040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IYOZTVGMEWJPKR-VOMCLLRMSA-N

• YM 201636
IUPAC Name: 6-amino-N-[3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide | CAS Registry Number: 371942-69-7
Synonyms: YM201636, YM-201636, Unable to generate chemical name, 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide, PubChem22459, SureCN258416, cc-386, CHEMBL2178735, CTK8E9500, QCR-257, MolPort-009-019-614, BCPP000006, HMS3229J15, ABP000099, RS0081, ZINC34048998, CS-0592, NCGC00346683-01, HY-13228, KB-81527

Molecular Formula: C25H21N7O3Molecular Weight: 467.479340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: YBPIBGNBHHGLEB-UHFFFAOYSA-N

• Zanamivir
IUPAC Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | CAS Registry Number: 139110-80-8
Synonyms: zanamivir, Relenza, Zanamavir, Zanamivir hydrate, 2qwe, GANA, 4-Guanidino-Neu5Ac2en, GANA (inhibitor), Relenza (TN), 1a4g, 4-Guanidino-NeueAc2en, Zanamivir (USAN/INN), MODIFIED SIALIC ACID, Zanamivir [USAN:BAN:INN], CHEBI:50663, AIDS070984, GG167, AIDS-070984, GG 167, GG-167

Molecular Formula: C12H20N4O7Molecular Weight: 332.309800 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: ARAIBEBZBOPLMB-UFGQHTETSA-N

• (S)-4-N-Boc-2-methylpiperazine
IUPAC Name: tert-butyl 3-methylpiperazine-1-carboxylate | CAS Registry Number: 147081-29-6
Synonyms: (S)-2-Methyl-1-Boc-piperazine, GL-0857, FS011291, tert-Butyl 3-methyl-1-piperazinecarboxylate, TL8000544

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FMLPQHJYUZTHQS-UHFFFAOYSA-N

• 6-Fluoro-1-indanone
IUPAC Name: 6-fluoro-2,3-dihydroinden-1-one | CAS Registry Number: 1481-32-9
Synonyms: 6-Fluoro-indan-1-one, 6-fluoro-2,3-dihydroinden-1-one, 6-fluoroindan-1-one, 6-fluoro-2,3-dihydro-1H-inden-1-one, SBB056321, AG-D-93589, 6-Fluroro-1-indanone, 6-fluoroindanone, ZINC01443041, PubChem8856, ACMC-1BWFY, SureCN1150109, KSC490E7D, 663123_ALDRICH, AC1LU369, CTK3J0271, MolPort-000-003-770, ACT08311, ANW-21117, AKOS005206718

Molecular Formula: C9H7FOMolecular Weight: 150.149683 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LVUUCFIQQHEFEJ-UHFFFAOYSA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• (S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride | CAS Registry Number: 169448-17-3
Synonyms: (S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate-HCl, KB-144813, B-2157, (s)-tert-butyl-2-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride

Molecular Formula: C11H23ClN2O3Molecular Weight: 266.764920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: IHAAIADIADPGMB-FVGYRXGTSA-N

• 1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-
IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide | CAS Registry Number: 606143-52-6
Synonyms: Selumetinib, AZD 6244, AZD6244, AZD-6244, ARRY-142886, 5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, CHEMBL1614701, NCGC00189073-01, NCGC00189073-02, DSSTox_CID_28870, DSSTox_RID_83139, DSSTox_GSID_48944, 5-(4-broMo-2-chlorophenylaMino)-4-fluoro-N-(2-hydroxyethoxy)-1-Methyl-1H-benzo[d]iMidazole-6-carboxaMide, CAS-606143-52-6, 1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-, PubChem21092, AZD 6244 Selumetinib, Selumetinib (USAN/INN), Array142886, AZD6244 - Selumetinib

Molecular Formula: C17H15BrClFN4O3Molecular Weight: 457.681403 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: CYOHGALHFOKKQC-UHFFFAOYSA-N

• 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido(1,6-b)pyridazin-6-one
IUPAC Name: 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one | CAS Registry Number: 209410-46-8
Synonyms: VX-745, CID3038525, 6H-Pyrimido(1,6-b)pyridazin-6-one, 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-

Molecular Formula: C19H9Cl2F2N3OSMolecular Weight: 436.262066 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VEPKQEUBKLEPRA-UHFFFAOYSA-N

• 6-Hydroxy-1-indanone
IUPAC Name: 6-hydroxy-2,3-dihydroinden-1-one | CAS Registry Number: 62803-47-8
Synonyms: 6-hydroxy-2,3-dihydroinden-1-one, AG-G-31326, ZINC02566516, PubChem9660, AC1ODTM7, SureCN28880, 634549_ALDRICH, ACMC-1B680, CTK5B6113, MolPort-003-803-198, AM1106, ANW-34386, SBB067630, AKOS015856378, 2,3-Dihydro-6-hydroxy-1H-inden-1-one, AK-35907, BP-13219, BR-35907, I389, 1H-Inden-1-one,2,3-dihydro-6-hydroxy-

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MOANRQDXNNXOLW-UHFFFAOYSA-N

• (S)-1-Boc-2-benzyl-piperazine
IUPAC Name: tert-butyl (2S)-2-(phenylmethyl)piperazine-1-carboxylate | CAS Registry Number: 169447-86-3
Synonyms: N1-Boc-2-benzylpiperazine, TL8001320, C-1162

Molecular Formula: C16H24N2O2Molecular Weight: 276.373960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QKUHUJCLUFLGCI-AWEZNQCLSA-N

• 1H-Indole, 4-methyl-5-nitro-
IUPAC Name: 4-methyl-5-nitro-1H-indole | CAS Registry Number: 165250-69-1
Synonyms: 4-methyl-5-nitro-1H-indole, 1H-Indole,4-methyl-5-nitro-, AG-E-14862, AGN-PC-00PAA8, SureCN3299785, 4-Methyl-5-nitro-1H-indole;, CTK4D2030, MolPort-009-197-598, ANW-53793, RB3321, AKOS006309112, RP23773, AK-30263, KB-39879, FT-0082003, FT-0601654, Y6080, B-2152, I14-36825

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XRJNLFAXLSBIDS-UHFFFAOYSA-N

• 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-b-oxo-, (3R,4R)-
IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile | CAS Registry Number: 477600-75-2
Synonyms: Tasocitinib, Tofacitinib, CP-690550, CP 690550, 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, UNII-87LA6FU830, CHEBI:71200, Tofacitinib (USAN), Tofacitinib [USAN], CP690550, 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, CP-690550, Tasocitinib, CP690550, tofacitinibum, 3eyg, 3fup, 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile, Tasocitinib [INN], PubChem16767, Tofacitinib [USAN:INN], SureCN322753

Molecular Formula: C16H20N6OMolecular Weight: 312.369600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N


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