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Biochemicals
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Leukotriene D4 (LTD4), Agonist of CysLT 1 receptor;Agonist of CysLT 2 receptor;Agonist of GPR17Cas Number: 73836-78-9(Ethanol)Formula: C25H40N2O6S Molecular Weight: 496.66IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NInChIKey: YEESKJGWJFYOOK-IJHYULJSSA-NInChI: show moreSynonyms: DB11858 | Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z))...
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Zafirlukast, Cysteinyl leukotriene receptor 1 antagonistCas Number: 107753-78-6 Compound CID: 5717Formula: C31H33N3O6S Molecular Weight: 575.68IUPAC Name: cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamateSMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OCInChIKey: YEEZWCHGZNKEEK-UHFFFAOYSA-NInChI: show moreSynonyms: SR-01000759386-9 | ZAFIRLUKAST [MI] | AB00639922_09 | cyclopentyl N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl...
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Montelukast sodium hydrate, Cysteinyl leukotriene receptor 1 antagonistCas Number: 151767-02-1Formula: C35H35ClNO3S·Na · xH2O Molecular Weight: 608.17 (anhydrous basis)IUPAC Name: sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetateSMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]InChIKey: LBFBRXGCXUHRJY-HKHDRNBDSA-MInChI: show moreSynonyms: AKOS015994699 | BCP26683 | Singular | sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2...
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Testosterone propionateFormula: C22H32O3 Molecular Weight: 344.49IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoateSMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CInChIKey: PDMMFKSKQVNJMI-BLQWBTBKSA-NInChI: show moreSynonyms: testosterone propionate|57-85-2|Agovirin|Androlon|Androteston|Aquaviron|Hormoteston|Enarmon|Bio-testiculina|Androtest...
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TioconazoleCas Number: 65899-73-2 Compound CID: 5482Formula: C16H13Cl3N2OS Molecular Weight: 387.72IUPAC Name: 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazoleSMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)ClInChIKey: QXHHHPZILQDDPS-UHFFFAOYSA-NInChI: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2Synonyms: Topcare Tioconazole 1 | AMY32535 | CCG-213487 | HY-B0319 | TIOCONAZOLE [USP-RS] | 1H-Imidazole, 1-(2-((2-chloro-3-thi...
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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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Leukotriene E4, Agonist of CysLT 1 receptor;Agonist of CysLT 2 receptor;Agonist of GPR17;Agonist of oxoglutarate receptorCas Number: 75715-89-8Formula: C23H37NO5S Molecular Weight: 439.61IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NInChIKey: OTZRAYGBFWZKMX-FRFVZSDQSA-NInChI: show moreSynonyms: (5S,6R,7E,9E,11Z,14Z)-6-(2-AMINO-2-CARBOXYETHYL)SULFANYL-5-HYDROXYICOSA-7,9,11,14-TETRAENOIC ACID | 7,9,11,14-Eicosat...
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Pranlukast, Cysteinyl leukotriene receptor 1 antagonistCas Number: 103177-37-3 EC Number: 808-178-9Formula: C27H23N5O4 Molecular Weight: 481.5IUPAC Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamideSMILES: C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5InChIKey: NBQKINXMPLXUET-UHFFFAOYSA-NInChI: show moreSynonyms: BDBM50023198 | Azlaire (TN) | CCN-00401 | HMS3650A14 | N-[4-oxo-2-(2H-tetrazol-5-yl)-1-benzopyran-8-yl]-4-(4-phenylbu...
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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...
