小分子和化合物库
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NNC 63-0532,非肽NOP激动剂CAS号 : 250685-44-0 Compound CID : 9803475分子式: C27H29N3O3 分子量: 443.54IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetateSMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-NInChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
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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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脑帕多CAS号 : 863513-91-1 Compound CID : 11848225分子式: C24H27FN2O 分子量: 378.48IUPAC Name: 6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amineSMILES: CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5InChIKey: CSMVOZKEWSOFER-UHFFFAOYSA-NInChI: InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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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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MCOPPB三盐酸盐水合物CAS号 : 1028969-49-4 Compound CID : 24800108分子式: C26H40N4 分子量: 408.6IUPAC Name: 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazoleSMILES: CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5InChIKey: CYYNMPPFEJPBJD-OAQYLSRUSA-NInChI: InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
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