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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双(吗啉代硫代羰基)二硫化物(JX 06)分子式: C10H16N2O2S4 分子量: 324.51IUPAC Name: morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioateSMILES: C1COCCN1C(=S)SSC(=S)N2CCOCC2InChIKey: KKVYOWPPMNSLCP-UHFFFAOYSA-NInChI: InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
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Autophinib,VPS34抑制剂CAS号 : 1644443-47-9 Compound CID : 129626605分子式: C14H11ClN6O3 分子量: 346.73IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])ClInChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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KU 60019CAS号 : 925701-46-8 Compound CID : 15953870分子式: C30H33N3O5S 分子量: 547.67IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamideSMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-NInChI: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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KU-60019CAS号 : 925701-49-1(DMSO)分子式: C30H33N3O5S 分子量: 547.67SMILES: CC1CN(CC(C)O1)CC(=O)NC2=CC3=C(SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6)C=C2
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Torin 2CAS号 : 1223001-51-1(DMSO)分子式: C24H15F3N4O 分子量: 432.4SMILES: NC1=CC=C(C=N1)C2=CC=C3N=CC4=C(N(C(=O)C=C4)C5=CC=CC(=C5)C(F)(F)F)C3=C2
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ML162CAS号 : 1035072-16-2 Compound CID : 3689413分子式: C23H22Cl2N2O3S 分子量: 477.4IUPAC Name: 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamideSMILES: COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)ClInChIKey: UNVKYJSNMVDZJE-UHFFFAOYSA-NInChI: InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
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VPS34抑制剂1(化合物19)CAS号 : 1383716-46-8 Compound CID : 67983918分子式: C21H25N7O 分子量: 391.47IUPAC Name: 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-olSMILES: CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)OInChIKey: XJTIGGCBXFIZJV-UHFFFAOYSA-NInChI: InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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ABX-1431CAS号 : 1446817-84-0 Compound CID : 71657619分子式: C20H22F9N3O2 分子量: 507.39IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylateSMILES: C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)FInChIKey: SQZJGTOZFRNWCX-UHFFFAOYSA-NInChI: InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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AutophinibCAS号 : 1644443-47-9 Compound CID : 129626605分子式: C14H11ClN6O3 分子量: 346.73IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])ClInChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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