小分子和化合物库
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LY2183240,花生四烯酸摄取抑制剂CAS号 : 874902-19-9 Compound CID : 11507802分子式: C17H17N5O 分子量: 307.35IUPAC Name: N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamideSMILES: CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3InChIKey: GZNIYOXWFCDBBJ-UHFFFAOYSA-NInChI: InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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花生四烯酸氟膦酸甲酯CAS号 : 188404-10-6 Compound CID : 10429254分子式: C21H36FO2P 分子量: 370.5IUPAC Name: (5Z,8Z,11Z,14Z)-1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraeneSMILES: CCCCCC=CCC=CCC=CCC=CCCCCP(=O)(OC)FInChIKey: KWKZCGMJGHHOKJ-ZKWNWVNESA-NInChI: InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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棕榈酰基异丙基酰胺CAS号 : 189939-61-5 Compound CID : 5063962分子式: C19H39NO 分子量: 297.52IUPAC Name: N-propan-2-ylhexadecanamideSMILES: CCCCCCCCCCCCCCCC(=O)NC(C)CInChIKey: TZYVUGCYYQOTQR-UHFFFAOYSA-NInChI: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
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Roxadustat (FG-4592)CAS号 : 808118-40-3(DMSO)分子式: C19H16N2O5 分子量: 352.34SMILES: CC1=NC(=C(O)C2=C1C=C(OC3=CC=CC=C3)C=C2)C(=O)NCC(O)=O
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IOX2CAS号 : 931398-72-0(DMSO)分子式: C19H16N2O5 分子量: 352.34SMILES: OC(=O)CNC(=O)C1=C(O)C2=C(C=CC=C2)N(CC3=CC=CC=C3)C1=O
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JNJ-1661010CAS号 : 681136-29-8(DMSO)分子式: C19H19N5OS 分子量: 365.45SMILES: O=C(NC1=CC=CC=C1)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4
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PF-3845CAS号 : 1196109-52-0(DMSO)分子式: C24H23F3N4O2 分子量: 456.46SMILES: FC(F)(F)C1=CN=C(OC2=CC(=CC=C2)CC3CCN(CC3)C(=O)NC4=CN=CC=C4)C=C1
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URB597CAS号 : 546141-08-6(DMSO)分子式: C20H22N2O3 分子量: 338.4SMILES: NC(=O)C1=CC(=CC=C1)C2=CC=CC(=C2)OC(=O)NC3CCCCC3
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TP0463518CAS号 : 1558021-37-6 Compound CID : 73052863分子式: C20H18ClN3O6 分子量: 431.83IUPAC Name: 2-[[1-[[6-(4-chlorophenoxy)pyridin-3-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acidSMILES: C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)ClInChIKey: HMMHKGLPKAQOOH-UHFFFAOYSA-NInChI: InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)
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IOX4CAS号 : 1154097-71-8 Compound CID : 24812792分子式: C15H16N6O3 分子量: 328.33IUPAC Name: tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3InChIKey: HWQQDVNGHZIALS-UHFFFAOYSA-NInChI: InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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FG-2216CAS号 : 223387-75-5 Compound CID : 6914666分子式: C12H9ClN2O4 分子量: 280.66IUPAC Name: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acidSMILES: C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)OInChIKey: OUQVKRKGTAUJQA-UHFFFAOYSA-NInChI: InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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MK-8617CAS号 : 1187990-87-9 Compound CID : 44230662分子式: C24H21N5O4 分子量: 443.45IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamideSMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4InChIKey: WXLPERVDMILVIF-UHFFFAOYSA-NInChI: InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
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