小分子和化合物库
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6-氯-2,3,4,9-四氢-1H-咔唑-1-甲酰胺CAS号 : 49843-98-3(DMSO)分子式: C13H13ClN2O 分子量: 248.71SMILES: NC(=O)C1CCCC2=C1[NH]C3=C2C=C(Cl)C=C3
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InauhzinCAS号 : 309271-94-1 Compound CID : 5494506分子式: C25H19N5OS2 分子量: 469.58IUPAC Name: 1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-oneSMILES: CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(C6=CC=CC=C6N5)N=N4InChIKey: VHUOXERIKQWIJE-UHFFFAOYSA-NInChI: InChI=1S/C25H19N5OS2/c1-2-19(33-25-27-23-22(28-29-25)15-9-3-4-10-16(15)26-23)24(31)30-17-11-5-7-13-20(17)32-21-14-8-6-12-18(21)30/h3-14,19H,2H2,1H3,(H,26,27,29)
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SRT2183CAS号 : 1001908-89-9 Compound CID : 24180126分子式: C27H24N4O2S 分子量: 468.57IUPAC Name: N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamideSMILES: C1CN(CC1O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4NC(=O)C5=CC6=CC=CC=C6C=C5InChIKey: MUFSINOSQBMSLE-JOCHJYFZSA-NInChI: InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1
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InauhzinCAS号 : 309271-94-1 Compound CID : 5494506分子式: C25H19N5OS2 分子量: 469.58IUPAC Name: 1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-oneSMILES: CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(C6=CC=CC=C6N5)N=N4InChIKey: VHUOXERIKQWIJE-UHFFFAOYSA-NInChI: InChI=1S/C25H19N5OS2/c1-2-19(33-25-27-23-22(28-29-25)15-9-3-4-10-16(15)26-23)24(31)30-17-11-5-7-13-20(17)32-21-14-8-6-12-18(21)30/h3-14,19H,2H2,1H3,(H,26,27,29)
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SRT2183CAS号 : 1001908-89-9 Compound CID : 24180126分子式: C27H24N4O2S 分子量: 468.57IUPAC Name: N-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]naphthalene-2-carboxamideSMILES: C1CN(CC1O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4NC(=O)C5=CC6=CC=CC=C6C=C5InChIKey: MUFSINOSQBMSLE-JOCHJYFZSA-NInChI: InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1
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(2,5-Dihydroxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanoneCAS号 : 312513-29-4 Compound CID : 687118分子式: C15H10O5 分子量: 270.24IUPAC Name: (2,5-dihydroxyphenyl)-(5-hydroxy-1-benzofuran-3-yl)methanoneSMILES: C1=CC(=C(C=C1O)C(=O)C2=COC3=C2C=C(C=C3)O)OInChIKey: UEKVXBPOFPTXNZ-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H
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6-氯-2,3,4,9-四氢-1H-咔唑-1-甲酰胺CAS号 : 49843-98-3 Compound CID : 5113032分子式: C13H13ClN2O 分子量: 248.71IUPAC Name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamideSMILES: C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)NInChIKey: FUZYTVDVLBBXDL-UHFFFAOYSA-NInChI: InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
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SRT2104 (GSK2245840)CAS号 : 1093403-33-8 Compound CID : 25108829分子式: C26H24N6O2S2 分子量: 516.64IUPAC Name: 4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamideSMILES: CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CN5C(=CSC5=N4)CN6CCOCC6InChIKey: LAMQVIQMVKWXOC-UHFFFAOYSA-NInChI: InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)
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SRT2104 (GSK2245840)CAS号 : 1093403-33-8 Compound CID : 25108829分子式: C26H24N6O2S2 分子量: 516.64IUPAC Name: 4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamideSMILES: CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CN5C(=CSC5=N4)CN6CCOCC6InChIKey: LAMQVIQMVKWXOC-UHFFFAOYSA-NInChI: InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)
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tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylateCompound CID : 71654771IUPAC Name: tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylateSMILES: O=C(c1ccc(s1)C(=O)OC(C)(C)C)NCCC1CCN(CC1)c1ncnc2c1sc(c2)C(=O)NInChIKey: XZEVSGANERUOOE-UHFFFAOYSA-NInChI: InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)
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