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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UNC0646,G9a和GLP抑制剂CAS号 : 1320288-17-2 Compound CID : 53315882分子式: C36H59N7O2 分子量: 621.9IUPAC Name: N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amineSMILES: CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C5CCCCC5)OC)OCCCN6CCCCC6InChIKey: OUKWLRHRXOPODD-UHFFFAOYSA-NInChI: InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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西奈芬净CAS号 : 58944-73-3 Compound CID : 65482分子式: C15H23N7O5 分子量: 381.39IUPAC Name: (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acidSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)NInChIKey: LMXOHSDXUQEUSF-YECHIGJVSA-NInChI: InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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Chetomin,HIF信号抑制剂分子式: C31H32N6O6S4 分子量: 712.87IUPAC Name: (1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dioneSMILES: CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)COInChIKey: ZRZWBWPDBOVIGQ-YWZWRZHGSA-NInChI: InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1
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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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UNC0631CAS号 : 1320288-19-4 Compound CID : 53315868分子式: C37H61N7O2 分子量: 635.93IUPAC Name: N-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amineSMILES: CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5CCCCC5)OC)OCCCN6CCCCC6InChIKey: XFAXSWXKPQWHDW-UHFFFAOYSA-NInChI: InChI=1S/C37H61N7O2/c1-29(2)43-19-10-20-44(24-23-43)37-39-33-27-35(46-25-11-18-41-16-8-5-9-17-41)34(45-3)26-32(33)36(40-37)38-31-14-21-42(22-15-31)28-30-12-6-4-7-13-30/h26-27,29-31H,4-25,28H2,1-3H3,(H,38,39,40)
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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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CM272CAS号 : 1846570-31-7 Compound CID : 118607432分子式: C28H38N4O3 分子量: 478.63IUPAC Name: 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amineSMILES: CC1=CC=C(O1)C2=NC3=CC(=C(C=C3C(=C2)NC4CCN(CC4)C)OC)OCCCN5CCCC5InChIKey: RLQLKZTYUYIWDB-UHFFFAOYSA-NInChI: InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)
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A 366CAS号 : 1527503-11-2 Compound CID : 76285486分子式: C19H27N3O2 分子量: 329.44IUPAC Name: 5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amineSMILES: COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4InChIKey: BKCDJTRMYWSXMC-UHFFFAOYSA-NInChI: InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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