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Biochemicals
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Lovastatin, HMG-CoA reductase inhibitorCas Number: 75330-75-5Formula: C24H36O5 Molecular Weight: 404.54IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-NInChI: show moreSynonyms: 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-...
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Regorafenib (BAY 73-4506), Nerve growth factor receptor Trk-ACas Number: 755037-03-7 Compound CID: 11167602Formula: C21H15ClF4N4O3 Molecular Weight: 482.82IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamideSMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)FInChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-NInChI: show moreSynonyms: CCG-269571 | AB00076187-01 | CHEBI:68647 | 755037-03-7 , Regorafenib | AC-25075 | MFCD16038047 | Regorafenib,BAY 73-4...
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Simvastatin, HMG-CoA reductase inhibitorCas Number: 79902-63-9 Compound CID: 54454Formula: C25H38O5 Molecular Weight: 418.57IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoateSMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: RYMZZMVNJRMUDD-HGQWONQESA-NInChI: show moreSynonyms: BRN 4768037 | Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetra...
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Ketoconazole, Inhibitor of CYP3A4;Channel blocker of K v1.8Cas Number: 65277-42-1 EC Number: 265-667-4Formula: C26H28Cl2N4O4 Molecular Weight: 531.43IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanoneSMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)ClInChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-NInChI: show moreSynonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
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GTP 14564, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;Inhibitor of platelet derived growth factor receptor betaCas Number: 34823-86-4Formula: C15H10N2O Molecular Weight: 234.26IUPAC Name: 3-phenyl-1H-[1]benzofuro[3,2-c]pyrazoleSMILES: C1=CC=C(C=C1)C2=NNC3=C2OC4=CC=CC=C43InChIKey: DZQLVVLATXPWBK-UHFFFAOYSA-NInChI: InChI=1S/C15H10N2O/c1-2-6-10(7-3-1)13-15-14(17-16-13)11-8-4-5-9-12(11)18-15/h1-9H,(H,16,17)Synonyms: HSCI1_000176 | BRD-K16664969-001-01-7 | GTPL5982 | CCG-206757 | GTP 14564 | AKOS024456938 | HMS3413E13 | J-019773 | Q...
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cholest-5-ene-3,25-diol, Agonist of GPR183;Agonist of RAR-related orphan receptor-γCas Number: 2140-46-7Formula: C27H46O2 Molecular Weight: 402.653IUPAC Name: show moreSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-NInChI: show moreSynonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec...
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KetoconazoleCas Number: 65277-42-1 EC Number: 265-667-4Formula: C26H28Cl2N4O4 Molecular Weight: 531.43IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanoneSMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)ClInChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-NInChI: show moreSynonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
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c-Kit-IN-3, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;Inhibitor of platelet derived growth fCas Number: 2363169-01-9 Compound CID: 139030518Formula: C26H20 ClF3N2O4 Molecular Weight: 516.90IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamideSMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)CC4=CC(=C(C=C4)Cl)C(F)(F)FInChIKey: YOHLRCOPRAVUCJ-UHFFFAOYSA-NInChI: show moreSynonyms: CHMFL-KIT-64 | 2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide | 2-[4-c...
