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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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• PD 128907 Hydrochloride
IUPAC Name: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol;hydrochloride | CAS Registry Number: 300576-59-4
Synonyms: S(+)-PD 128,907 hydrochloride, (+/-)-PD 128,907 hydrochloride, PD 125,530, (+)-PD 128,907 hydrochloride, R(-)-PD 128,908 hydrochloride, (+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride, (+)-PD 128907 hydrochloride, EU-0101038, P183_SIGMA, P201_SIGMA, P216_SIGMA, MLS002153393, CHEMBL1256778, MolPort-003-959-173, (?)-PD 128,907 hydrochloride, AKOS015900216, EX-3305, LP00988, LP01038, SPD-128907

Molecular Formula: C14H20ClNO3Molecular Weight: 285.766500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DCFXOTRONMKUJB-QMDUSEKHSA-N

• PD0325901
IUPAC Name: N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide | CAS Registry Number: 870474-62-7
Synonyms: 391210-10-9, PD 0325901, PD-0325901, S1036_Selleck, PD325901, PD 325901, PD-325901, CHEMBL507361, ZINC03938683, (R)-N-(2,3-Dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide, (R)-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZAMIDE, N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide, DB07101, NCGC00189075-01, S06-0029, N-[((R)-2,3-dihydroxypropyl)oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide, 4BM, CID9826528, nchembio.282-comp3, PubChem22394

Molecular Formula: C16H14F3IN2O4Molecular Weight: 482.193040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: SUDAHWBOROXANE-SECBINFHSA-N

• Pelitinib
IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide | CAS Registry Number: 257933-82-7
Synonyms: EKB-569, Pelitinib (USAN/INN), WAY-EKB 569, WAY-EKB-569, CHEBI:38927, EKB 569, NSC729742, CID6445562, WAY-172569, D05399, (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide, (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, (E)-N-[4-(3-Chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide,, 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-, 2-Butenamide, N-[4-(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl-4-(dimethylamino)-, (E)-,, 4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide

Molecular Formula: C24H23ClFN5O2Molecular Weight: 467.923123 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVUNYSQLFKLYNI-AATRIKPKSA-N

• Pentostatin
IUPAC Name: (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol | CAS Registry Number: 53910-25-1
Synonyms: pentostatin, Deoxycoformycin, Nipent, Covidarabine, Oncopent, Vidarbine, Coforin, 2'-Deoxycoformycin, Nipent (TN), Pentostatin (JAN/USAN/INN), 2'-DCF, AIDS072452, AIDS-072452, CI-825, NSC218321, YK-176, NSC-218321, 59979-24-7 (DELETED), PD-81565, CL-67310465

Molecular Formula: C11H16N4O4Molecular Weight: 268.269140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: FPVKHBSQESCIEP-JQCXWYLXSA-N

• Peramivir Trihydrate
IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate | CAS Registry Number: 1041434-82-5
Synonyms: Peramivir trihydrate, Peramivir, UNII-QW7Y7ZR15U, Rapiacta trihydrate, BCX 1812 trihydrate, QW7Y7ZR15U, CS-0732, HY-17015, AB2000705, Y0248, Peramivir trihydrate|1041434-82-5|Rapiacta trihydrate|BCX 1812 trihydrate, (1S,2S,3R,4R)-4-carbamimidamido-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid trihydrate

Molecular Formula: C15H34N4O7Molecular Weight: 382.453060 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 8

InChIKey: RFUCJKFZFXNIGB-ZBBHRWOZSA-N

• Phenol, 3-[2-[2-cyclopentyl-6-[[4-(dimethylphosphinyl)phenyl]amino]-9H-purin-9-yl]ethyl]-
IUPAC Name: 3-[2-[2-cyclopentyl-6-(4-dimethoxyphosphorylanilino)purin-9-yl]ethyl]phenol | CAS Registry Number: 845895-51-4
Synonyms: BCP9000306

Molecular Formula: C26H30N5O4PMolecular Weight: 507.521262 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: PADCFSVZOYFPCZ-UHFFFAOYSA-N

• Pheophorbide A
Synonyms: Pheophorbide a, Phaeophorbid a, Phaeophorbid-a, 13-epi-Phaeophorbide-a, CCRIS 8091, CHEBI:38257, EINECS 239-738-5, NSC75783, CID5323510, NCI60_041663, LS-186776, LS-187452, (3S-(3alpha,4beta,21beta))-14-Ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionic acid, 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-, (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoic acid, (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid, 28979-78-4, 29702-69-0, 3-[(3S,4S,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid, 3-phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-

Molecular Formula: C35H36N4O5Molecular Weight: 592.684140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: OINDWIFDMFYGDX-LDCXZXNSSA-N

• Picoplatin
IUPAC Name: azane; 2-methylpyridine; platinum(2+); dichloride | CAS Registry Number: 181630-15-9
Synonyms: Picoplatin [INN:BAN], AMD 473, AMD-473, JM-473, ZD0473, ZD 0473, CID177358, Amminedichloro(2-methylpyridine)platinum(ii), LS-184068, (SP-4-3)-Amminedichloro(2-methylpyridine)platinium, Platinum, amminedichloro(2-methylpyridine)-, (SP-4-3)-

Molecular Formula: C6H10Cl2N2PtMolecular Weight: 376.141000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IIMIOEBMYPRQGU-UHFFFAOYSA-L

• Pinostilbene
IUPAC Name: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol | CAS Registry Number: 42438-89-1
Synonyms: CHEBI:63672, 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol, 3-methoxyresveratrol, NSC723532, AC1NV8IH, SureCN562335, CHEMBL498917, ZINC06483567, AKOS015915100, AC-7026, NSC-723532, 3,4'-Dihydroxy-5-methoxy-trans-stilbene, AK-48859, FT-0659983, P1927, ST51054408, C20154, I14-6898

Molecular Formula: C15H14O3Molecular Weight: 242.269860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KUWZXOMQXYWKBS-NSCUHMNNSA-N

• Piperazine, 2,5-dimethyl-1-(phenylmethyl)-, (2R,5R)-
IUPAC Name: (2R,5R)-1-benzyl-2,5-dimethylpiperazine;dihydrochloride | CAS Registry Number: 324750-43-8
Synonyms: (2R,5R)-1-benzyl-2,5-dimethylpiperazine dihydrochloride, AG-F-08564, CTK4G8761, AKOS015845632, AK133421, A821290, I13-0203, (2R,5R)-2,5-dimethyl-1-(phenylmethyl)piperazine dihydrochloride

Molecular Formula: C13H22Cl2N2Molecular Weight: 277.233180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: NNOPREOUOQQPDC-MBORUXJMSA-N

• Piperazine-2-Carboxylic Acid Dihydrochloride
IUPAC Name: (2S)-piperazine-1,4-diium-2-carboxylate | CAS Registry Number: 3022-15-9
Synonyms: ZINC03860731

Molecular Formula: C5H11N2O2+Molecular Weight: 131.153040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JSSXHAMIXJGYCS-BYPYZUCNSA-O

• Piperazine-2-carboxylic acid methyl ester dihydrochloride
IUPAC Name: methyl piperazine-2-carboxylate;dihydrochloride | CAS Registry Number: 122323-88-0
Synonyms: Methyl Piperazine-2-carboxylate Dihydrochloride, Piperazine-2-carboxylicacidmethylesterdihydrochloride, PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-2HCl, 3-aminopiperidine-3-carboxylic acid dihydrochloride, PubChem24366, AC1MC2NE, SureCN1512332, KSC791E8T, CTK6J1289, MolPort-000-158-316, ANW-48742, AKOS015845300, AG-B-43496, AK-44504, BR-44504, KB-80032, FT-0083936, FT-0659371, X9518, A12937

Molecular Formula: C6H14Cl2N2O2Molecular Weight: 217.093560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: ZBYFDUSYNDLSND-UHFFFAOYSA-N

• Platycodin D
IUPAC Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | CAS Registry Number: 58479-68-8
Synonyms: CID162859, LS-193714, Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-L-arabinopyranosyl ester, (2beta,3beta,16alpha)-

Molecular Formula: C57H92O28Molecular Weight: 1225.323580 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 28

InChIKey: CYBWUNOAQPMRBA-NDTOZIJESA-N

• Plerixafor
IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane | CAS Registry Number: 110078-46-1
Synonyms: Mozobil, AMD3100, Amd 3100, bicyclam JM-2987, JM 3100, AMD-3100, UNII-S915P5499N, JM3100, JM-3100, Mozobil (TN), SID791, 155148-31-5, 1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene, 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane, AC1L22ET, 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane, CHEMBL18442, SDZ SID 791, GNA & AMD-3100, HHA & AMD-3100

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

InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-N

• PLX4032
IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 1029872-54-5
Synonyms: Vemurafenib, Zelboraf, PLX-4032, RG7204, 918504-65-1, PLX 4032, UNII-207SMY3FQT, RO5185426, CHEBI:63637, RG-7204, RO-5185426, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide, PLX4032, RG7204, RO5185426, 1029872-54-5, 1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]-2,4-DIFLUOROPHENYL]-, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, RG7204, R7204, RO5185426, PLX4032, PLX-4032, Zelboraf (TN), N-(3-((5-(4-Chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4- difluorophenyl)propane-1-sulfonamide, n-(3-((5-(4-chlorophenyl)-1h-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-1-propanesulfonamide

Molecular Formula: C23H18ClF2N3O3SMolecular Weight: 489.922126 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N

• Pneumocandin
Synonyms: Pneumocandin Bo, Hydroxy Echinocandin, AIDS008540, AIDS-008540, CID5742645, L-688,786, (2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[2-Carbamoyl-1(R)-hydroxyethyl]-23-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-(10,12-dimethyltetradecanamido)-2,11,12,15-tetrahydroxy-6-[1(R)-hydroxyethyl]perhydrodipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-5,8,14,19,22,25-hexaone

Molecular Formula: C50H80N8O17Molecular Weight: 1065.213600 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 17

InChIKey: DQXPFAADCTZLNL-ZESADUFFSA-N

• Pomalidomide
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione | CAS Registry Number: 19171-19-8
Synonyms: Actimid, 4-Aminothalidomide, IMiD1, IMiD 3, UNII-D2UX06XLB5, IMID-4047, CDC-394, CHEBI:163100, CC-4047, CID134780, CC 4047, 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide, Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-, 4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione, 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, 4-Amino-2-(2,6-dioxo-piperidin-3-yl)-isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-, 443912-23-0, 443919-33-3

Molecular Formula: C13H11N3O4Molecular Weight: 273.244140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N

• Posaconazole
IUPAC Name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one | CAS Registry Number: 171228-49-2
Synonyms: Spriafil, Noxafil, Posaconazole SP, Sch 56592, SCH-56592, AIDS058495, AIDS-058495, SCH56592, 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one, PCZ, POS

Molecular Formula: C37H42F2N8O4Molecular Weight: 700.777386 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

• PP 121
IUPAC Name: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine | CAS Registry Number: 1092788-83-4
Synonyms: PP121, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHEBI:50915, PP-121, PP-121, PP 121, 1092788-83-4, PP121, PP-121, KS1, S2622_Selleck, Kinome_2001, SureCN12265009, cc-496, CHEMBL1081312, CTK8E9536, CHEBI:716450, ABP000938, CS-0087, DB08052, RL00398, NCGC00346619-01, EN002865

Molecular Formula: C17H17N7Molecular Weight: 319.363780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NVRXTLZYXZNATH-UHFFFAOYSA-N

• PP242
IUPAC Name: 2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol | CAS Registry Number: 1092351-67-1
Synonyms: SureCN298922, KB-59945

Molecular Formula: C16H16N6OMolecular Weight: 308.337840 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MTICIDWIKCANDD-UHFFFAOYSA-N

• Pristimerin
IUPAC Name: methyl (2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate | CAS Registry Number: 1258-84-0
Synonyms: Celastrol-methylether, Spectrum_001558, SpecPlus_000649, Spectrum2_000546, Spectrum3_001651, Spectrum4_001681, Spectrum5_000322, BSPBio_003401, KBioGR_001942, KBioSS_002038, DivK1c_006745, SPECTRUM1504181, SPBio_000591, MEGxp0_000269, ACon0_000836, KBio1_001689, KBio2_002038, KBio2_004606, KBio2_007174, KBio3_002621

Molecular Formula: C30H40O4Molecular Weight: 464.636200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JFACETXYABVHFD-WXPPGMDDSA-N

• Prucalopride
IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide | CAS Registry Number: 179474-81-8
Synonyms: Resolor, UNII-0A09IUW5TP, CHEBI:291172, CID3052762, L000891, R093877, R 093877, 4-Amino-5-chloro-2,3-dihydro-N-(1-(3-methoxypropyl)-4-piperidyl)-7-benzofurancarboxamide, 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid [1-(3-methoxy-propyl)-piperidin-4-yl]-amide

Molecular Formula: C18H26ClN3O3Molecular Weight: 367.870340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-N

• Prucalopride succinate
IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;butanedioic acid | CAS Registry Number: 179474-85-2
Synonyms: Resolor, R-108512, BUTANEDIOIC ACID 4-AMINO-5-CHLORO-2,3-DIHYDRO-N-[1-(3-METHOXYPROPYL)-4-PIPERIDINYL]-7-BENZOFURANCARBOXAMIDE, Prucalopride succinate (USAN), Prucalopride succinate [USAN], R-093877, Resolor (TN), Prucalopride Succinat, SureCN1230437, UNII-4V2G75E1CK, CHEMBL2105748, MolPort-020-313-414, DCL000854, AKOS015994741, KB-6806, RL02294, KB-48488, Y0234, D10152, R-93877

Molecular Formula: C22H32ClN3O7Molecular Weight: 485.958380 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: QZRSNVSQLGRAID-UHFFFAOYSA-N

• Psoralen
IUPAC Name: furo[3,2-g]chromen-7-one | CAS Registry Number: 66-97-7
Synonyms: Ficusin, Furocoumarin, Psoralene, Psorline-P, Phytoalexin, Psolaren, 6,7-Furanocoumarin, Furo(3,2-g)-coumarin, PHYTOALEXIN-CMPD, Furo[3,2-g]coumarin, 7H-Furo[3,2-g][1]benzopyran-7-one, CCRIS 4343, Furo(2',3',7,6)coumarin, Furo(4',5',6,7)coumarin, Furo[4',5':6,7]coumarin, Oprea1_841692, HSDB 3528, MLS001304059, P8399_SIGMA, 7H-Furo[3,2-g]chromen-7-one

Molecular Formula: C11H6O3Molecular Weight: 186.163540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N

• PU-H71
IUPAC Name: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine | CAS Registry Number: 873436-91-0
Synonyms: PU H71, 2fwz, SureCN1857579, cc-124, UNII-06IVK87M04, CHEMBL200102, PUH-71, PU-H71, d6, PU-H 71, PU-H-71, CHEBI:435628, NSC 750424-d6, NSC752199, CS-0546, NSC-752199, RL05427, H71, HY-11038, BCP0726000178, KB-145999

Molecular Formula: C18H21IN6O2SMolecular Weight: 512.367810 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: SUPVGFZUWFMATN-UHFFFAOYSA-N

• Pyrido[2,3-D]pyrimidin-7(8H)-One, 6-Acetyl-8-Cyclopentyl-5-Methyl-2-[[5-(1-Piperazinyl)-2-Pyridinyl]amino]-
IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one | CAS Registry Number: 571190-30-2
Synonyms: 2euf, CHEBI:419858, CID5330286, PD-0332991, PD-332991, PD0332991, PD 0332991, LQQ, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-

Molecular Formula: C24H29N7O2Molecular Weight: 447.532760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N

• Pyrocatechol monoglucoside
IUPAC Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-hydroxyphenoxy)oxane-3,4,5-triol | CAS Registry Number: 2400-71-7
Synonyms: (2R,3S,4S,5R)-2-(Hydroxymethyl)-6-(2-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol, SCHEMBL1706261, AKOS022184860, AK104286, ST24034028, W2831

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: NMZWIAATAZXMRV-OZRWLHRGSA-N

• R)-(+)-Piperazine-2-carboxylic acid methyl ester dihydrochloride
IUPAC Name: methyl (2R)-piperazine-2-carboxylate;dihydrochloride | CAS Registry Number: 637027-25-9
Synonyms: (R)-Methyl piperazine-2-carboxylate dihydrochloride, (R)-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-2HCl, (R)-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER DIHYDROCHLORIDE, (r)-piperazine-2-carboxylic acid methyl ester 2hcl, SureCN282695, CTK6I6370, MolPort-020-014-033, ACT09970, ANW-61384, AKOS015845243, AKOS015897893, AG-A-07684, PB16053, AK-45080, KB-144748, ST51051444, W7554, A-1717, I13-0254, METHYL (2R)-PIPERAZINE-2-CARBOXYLATE DIHYDROCHLORIDE

Molecular Formula: C6H14Cl2N2O2Molecular Weight: 217.093560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: ZBYFDUSYNDLSND-ZJIMSODOSA-N

• R-2-ISOBUTYL-PIPERAZINE
IUPAC Name: (2R)-2-(2-methylpropyl)piperazine;dihydrochloride | CAS Registry Number: 853730-57-1
Synonyms: (R)-2-Isobutylpiperazine dihydrochloride, MolPort-021-784-370, AKOS015924315, r-2-isobutyl-piperazine dihydrochloride, AK-42241, KB-144422, W8809

Molecular Formula: C8H20Cl2N2Molecular Weight: 215.163800 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: QYTGHACPXVRWBK-YCBDHFTFSA-N

• R788, Fostamatinib
IUPAC Name: disodium;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate | CAS Registry Number: 1025687-58-4
Synonyms: Fostamatinib disodium, R 788 sodium, R788, 1025687-58-4, Fostamatinib disodium, R935788, R 935788 sodium, R788, FosD, tamatinib fosdium, R-935788, S2206_Selleck, R-788 Sodium, R-935788 Sodium, cc-28, SureCN3657651, Fostamatinib disodium anhydrous, CHEMBL2105644, MolPort-016-633-314, UNII-X9417132K8, R935788 - Fostamatinib disodium, R788-Supplied by Selleck Chemicals, ABP000970, RL00119

Molecular Formula: C23H24FN6Na2O9PMolecular Weight: 624.423164 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 15

InChIKey: HSYBQXDGYCYSGA-UHFFFAOYSA-L

• Ramatroban
IUPAC Name: 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid | CAS Registry Number: 116649-85-5
Synonyms: Baynas, Baynas (TN), Bay u 3405, Bay u 3406, Bay u-3405, Ramatroban (JAN/INN), BAY u3405, Bay-u-3405, C21H21FN2O4S, NCGC00167519-01, LS-172326, D01128, C063119, 3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole propanoic acid, 9H-Carbazole-9-propanoic acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (R)-, (+)-(3R)-3-(p-Fluorobenzenesulfonamido)-1,2,3,4-tetrahydrocarbazole-9-propionic acid

Molecular Formula: C21H21FN2O4SMolecular Weight: 416.465843 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LDXDSHIEDAPSSA-OAHLLOKOSA-N

• Ramelteon
IUPAC Name: N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide | CAS Registry Number: 196597-26-9
Synonyms: Rozerem, Ramelteon [USAN], Rozerem (TN), TAK-375, BSPBio_002318, Ramelteon (JAN/USAN/INN), SPECTRUM1505817, CID208902, DB00980, LS-186569, LS-187367, D02689, (S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno-(5,4)furan-8-yl)ethyl)propionamide, Propanamide, N-(2-((8S)-1,6,7,8-tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)-, (-)-N-(2-(((8S)-1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide, N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzoxol-8-yl]ethyl]propanamide

Molecular Formula: C16H21NO2Molecular Weight: 259.343440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YLXDSYKOBKBWJQ-LBPRGKRZSA-N

• Rebapamulin
Synonyms: Retapamulin, Altabax, UNII-4MG6O8991R, SB275833, SB 275833, 345632-67-9

Molecular Formula: C30H47NO4SMolecular Weight: 517.763480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: STZYTFJPGGDRJD-BRFXRBGJSA-N

• RETICULINE
IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol | CAS Registry Number: 485-19-8
Synonyms: Reticuline, Reticline, Reticulin, d-Reticuline, L-(+)-Reticuline, S-(+)-Reticuline, (R,S)-Reticuline, CHEBI:26533, EINECS 207-611-3, CID10233, BRN 4299976, LS-86186, C12328, 5-21-06-00046 (Beilstein Handbook Reference), (S)-1,2,3,4-Tetrahydro-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-methylisoquinolin-7-ol, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-methyl-,(S)-, 1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

Molecular Formula: C19H23NO4Molecular Weight: 329.390220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BHLYRWXGMIUIHG-UHFFFAOYSA-N

• Retigabine Dihydrochloride
IUPAC Name: ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;dihydrochloride | CAS Registry Number: 150812-13-8
Synonyms: Ezogabine Dihydrochloride, Retigabine hydrochloride, AC1OCF6N, D20443 dihydrochloride, D-20443 dihydrochloride, SureCN155918, CTK8E8131, MolPort-005-943-933, HY-15471A, AKOS015994594, AC-5274, ADD-172014, CS-1136, HE-0244, LS-191294, FT-0674367, ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate dihydrochloride, Retigabine dihydrochloride|150812-13-8|D-20443 dihydrochloride|D20443 dihydrochloride

Molecular Formula: C16H20Cl2FN3O2Molecular Weight: 376.253303 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 5

InChIKey: WSGFOWNASITQHJ-UHFFFAOYSA-N

• Revaprazan Hydrochloride
IUPAC Name: N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine hydrochloride | CAS Registry Number: 178307-42-1
Synonyms: Revanex, UNII-4DQ6T10R64, Revaprazan hydrochloride (USAN), CID204103, YH1885, SB-641257A, YH-1885, D05722

Molecular Formula: C22H24ClFN4Molecular Weight: 398.904163 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MALPZYQJEDBIAK-UHFFFAOYSA-N

• Rhodiola Rosea Powdered Extract
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol | CAS Registry Number: 10338-51-9
Synonyms: Salidroside, Rhodioloside, Rhodosin, Tyrosol glucoside, Ambap2363, Glucopyranoside, p-hydroxyphenethyl, MEGxp0_000478, ACon1_000366, CID159278, NCGC00169145-01, LS-71547, 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside, beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, C06046, p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside

Molecular Formula: C14H20O7Molecular Weight: 300.304400 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

• Roflumilast
IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide | CAS Registry Number: 162401-32-3
Synonyms: DAXAS, 1xmu, 1xoq, Roflumilast [USAN], Roflumilast (JAN/USAN/INN), BY217, BYK20869, APTA-2217, BY-217, CID449193, LS-26272, D05744, B9302-107, C424423, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, 3-Cyclopropylmethoxy-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide, 3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-di-chloropyrid-4-yl)benzamide, ROF, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-, Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-

Molecular Formula: C17H14Cl2F2N2O3Molecular Weight: 403.207466 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MNDBXUUTURYVHR-UHFFFAOYSA-N

• RU58841
IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile | CAS Registry Number: 154992-24-2
Synonyms: CHEBI:105155, CID132981, RU 58841, RU-58841, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile, 4-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, 4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-trifluoromethyl-benzonitrile, Benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-

Molecular Formula: C17H18F3N3O3Molecular Weight: 369.338330 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: ARBYGDBJECGMGA-UHFFFAOYSA-N

• S-1-BOC-4-CBZ-2-methylpiperazine
IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S)-2-methylpiperazine-1,4-dicarboxylate | CAS Registry Number: 859517-91-2
Synonyms: (S)-1-Boc-4-Cbz-2-Methylpiperazine, (S)-4-benzyl 1-tert-butyl 2-methylpiperazine-1,4-dicarboxylate, MolPort-003-981-834, AKOS015840258, AC-14488, AK-42245, KB-05470, FT-0084005, W8837, (S)-4-benzyl-1-tert-butyl-2-methylpiperazine-1,4-dicarboxylate, 2-(S)-Methylpiperazine-1,4-dicarboxylic acid 4-benzyl ester 1-ter-butyl ester

Molecular Formula: C18H26N2O4Molecular Weight: 334.410040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KEFLVDKHKWYORF-AWEZNQCLSA-N

• Satraplatin
IUPAC Name: azane; cyclohexanamine; platinum(4+); diacetate; dichloride | CAS Registry Number: 129580-63-8
Synonyms: Poplat, Cyclohexanamine, platinum complex, JM 216, JM-216, JM216, BMY 45594, BMS 182751, Bis-acetatoamminedichlorocyclohexylamine platinum(IV), C081294, Platinum, bis(acetato-O)amminedichloro(cyclohexanamine)-, (OC-6-43)-, Platinum, bis(acetato-kappaO)amminedichloro(cyclohexanamine)-, (OC-6-43)-, 367265-85-8

Molecular Formula: C10H22Cl2N2O4PtMolecular Weight: 500.276680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CKNPWBAXEKSCRG-UHFFFAOYSA-J

• Saxagliptin hydrate
IUPAC Name: (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrate | CAS Registry Number: 945667-22-1
Synonyms: CHEBI:71271, Saxagliptin, Onglyza, Onglyza (TN), BMS-477118-11, saxagliptin monohydrate, CHEMBL2103745, Saxagliptin hydrate (JAN/USAN), D09753, A845005, (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)2-azabicyclo(3.1.0)hexane-3-carbonitrile monohydrate, (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile--water (1/1), (1S,3S,5S)-4-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-oxoethyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate, (1S,3S,5S)-4-[(2S)-2-azanyl-2-(3-oxidanyl-1-adamantyl)ethanoyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate

Molecular Formula: C18H27N3O3Molecular Weight: 333.425280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AFNTWHMDBNQQPX-NHKADLRUSA-N

• SB431542
IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide | CAS Registry Number: 301836-41-9
Synonyms: SB-431542, SB 431542, 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide, SB-431542-A, Bio2_000852, S1067_Selleck, Kinome_3428, PubChem22438, SureCN155156, SureCN310028, AC1ND2U2, BSPBio_001064, KBioGR_000404, KBioSS_000404, CHEMBL440084, QCR-42, BCBcMAP01_000166, CTK8B8498, KBio2_000404, KBio2_002972

Molecular Formula: C22H16N4O3Molecular Weight: 384.387440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-N

• SCH 527123
IUPAC Name: 2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide | CAS Registry Number: 473727-83-2
Synonyms: SCH-527123, Navarixin, CHEMBL216981, CHEBI:464875, (R)-2-Hydroxy-N,N-dimethyl-3-((2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)benzamide, CID9865554, CTK8B8735, MolPort-006-395-946, ANW-61143, DCL000593, DCL000924, DCL000980, AKOS016003539, CID6918326, CS-0609, CID11477084, AK-59740, HY-10198, PF-00547659, SCH 527123,CAS:473727-83-2

Molecular Formula: C21H23N3O5Molecular Weight: 397.424420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: RXIUEIPPLAFSDF-CYBMUJFWSA-N

• SCH900776
IUPAC Name: 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine | CAS Registry Number: 891494-63-6
Synonyms: CHEMBL2386889, SCH-900776, SureCN2408669, UNII-K2ZSF0992C, cc-660, CS-1117, RL05596, HY-15532, Y0217, SCH900776|891494-63-6|SCH-900776, (R)-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine, 6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3R)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine, 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((R)-piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine, 6-bromo-3-(1-methyl-1h-pyrazol-4-yl)-5-(3r)-3-piperidinylpyrazolo(1,5-a)pyrimidin-7-amine, Pyrazolo(1,5-a)pyrimidin-7-amine, 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3R)-3-piperidinyl-

Molecular Formula: C15H18BrN7Molecular Weight: 376.254320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GMIZZEXBPRLVIV-SECBINFHSA-N

• Sofosbuvir
IUPAC Name: propan-2-yl (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate | CAS Registry Number: 1190307-88-0
Synonyms: SOFOSBUVIR, QC-10465

Molecular Formula: C22H29FN3O9PMolecular Weight: 529.452525 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: TTZHDVOVKQGIBA-KVOQBTHKSA-N

• Sorafenib
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide | CAS Registry Number: 284461-73-0
Synonyms: Nexavar, sorafenibum, Sorafenib tosylate, Sorafenib [INN], nchembio.117-comp17, STOCK6S-50043, CHEBI:50924, K00597a, BAY 43-9006, BAY 439006, DB00398, NSC-724772, BAY-43-0006, BAY-43-9006, BAY-54-9085, NCGC00167488-01, LS-186067, LS-187021, LS-187788, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

Molecular Formula: C21H16ClF3N4O3Molecular Weight: 464.824950 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

• Sorafenib Tosylate
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid | CAS Registry Number: 475207-59-1
Synonyms: Nexavar, Xarelto, Sorafenib tosylate, Sorafenib tosilate, Nexavar(R), Nexavar (TN), Sorafenib tosilate (JAN), Sorafenib tosylate (USAN), Sorafenib tosylate [USAN], BAY 43-9006 tosylate, NSC724772, CID406563, BAY 43-9006, BAY 54-9085, LS-186598, D06272, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate), 4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy} -pyridine-2-carboxylic acid methylamide-4-methylbenzenesulfonate

Molecular Formula: C28H24ClF3N4O6SMolecular Weight: 637.026570 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IVDHYUQIDRJSTI-UHFFFAOYSA-N

• SRT-1720
IUPAC Name: N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide;hydrochloride | CAS Registry Number: 1001645-58-4
Synonyms: SRT1720, SRT-1720, SRT 1720, 1001645-58-4, SRT-1720, SRT1720, N-[2-[3-(1-Piperazinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-quinoxalinecarboxamide hydrochloride, S1129_Selleck, SRT 1720 Hydrochloride, cc-265, QCR-61, CS-0509, RL00018, SRT1720-Supplied by Selleck Chemicals, HY-15145, A4180, SRT 1720 Hydrochloride|1001645-58-4|SRT1720, N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide hydrochloride

Molecular Formula: C25H24ClN7OSMolecular Weight: 506.022360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: DTGRRMPPXCRRIM-UHFFFAOYSA-N

• Sulfamide, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-
IUPAC Name: 9-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridine | CAS Registry Number: 917879-39-1
Synonyms: MK-2461, SureCN93526, cc-600, UNII-4200RD53XF, CHEMBL1802916, CHEMBL1822792, MK 2461, NCGC00346695-01, Sulfamide, N-((2R)-1,4-dioxan-2-ylmethyl)-N-methyl-N'-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-

Molecular Formula: C24H25N5O5SMolecular Weight: 495.550800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: JGEBLDKNWBUGRZ-HXUWFJFHSA-N


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