小分子和化合物库
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K 858,有丝分裂驱动蛋白Eg5抑制剂CAS号 : 72926-24-0 Compound CID : 2930014分子式: C13H15N3O2S 分子量: 277.34IUPAC Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamideSMILES: CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)CInChIKey: JEFVYQYZCAVNTP-UHFFFAOYSA-NInChI: InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
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(-)-多奈哌齐CAS号 : 142057-80-5 Compound CID : 3152分子式: C24H29NO3 分子量: 379.49IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OCInChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-NInChI: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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班布特罗盐酸盐CAS号 : 81732-46-9 Compound CID : 54765分子式: C18H29N3O5 · HCl 分子量: 403.9IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate;hydrochlorideSMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.ClInChIKey: LBARATORRVNNQM-UHFFFAOYSA-NInChI: InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
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Galanthamine分子式: C17H21NO3 分子量: 287.35IUPAC Name: (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-olSMILES: CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)OInChIKey: ASUTZQLVASHGKV-JDFRZJQESA-NInChI: InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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K 858CAS号 : 72926-24-0 Compound CID : 2930014分子式: C13H15N3O2S 分子量: 277.34IUPAC Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamideSMILES: CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)CInChIKey: JEFVYQYZCAVNTP-UHFFFAOYSA-NInChI: InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
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溴化新斯的明分子式: C12H19BrN2O2 分子量: 303.2IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromideSMILES: CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]InChIKey: LULNWZDBKTWDGK-UHFFFAOYSA-MInChI: InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
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Methoctramine tetrahydrochlorideCAS号 : 104807-46-7 Compound CID : 107759分子式: C36H66Cl4N4O2 分子量: 582.9014584IUPAC Name: N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine;tetrahydrochlorideSMILES: COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.ClInChIKey: CDKGGOUDHGSFAF-UHFFFAOYSA-NInChI: InChI=1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H
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9-Amino-6-chloro-1,2,3,4-tetrahydro-acridine分子式: C13H13ClN2 分子量: 232.71IUPAC Name: 6-chloro-1,2,3,4-tetrahydroacridin-9-amineSMILES: C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NInChIKey: GQZMDBQRGRRPMS-UHFFFAOYSA-NInChI: InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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N,N-dipropyl-10H-phenothiazine-10-carboxamideCAS号 : 81225-62-9 Compound CID : 2235291分子式: C19H22N2OS 分子量: 326.5IUPAC Name: N,N-dipropylphenothiazine-10-carboxamideSMILES: CCCN(CCC)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31InChIKey: VELWLEWVSKZOLN-UHFFFAOYSA-NInChI: InChI=1S/C19H22N2OS/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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EptastigmineCAS号 : 101246-68-8 Compound CID : 65872分子式: C21H33N3O2 分子量: 359.5IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-heptylcarbamateSMILES: CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C3C2(CCN3C)C)CInChIKey: RRGMXBQMCUKRLH-CTNGQTDRSA-NInChI: InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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S-Benzyl 4-methylbenzenesulfonothioateCAS号 : 16601-02-8 Compound CID : 276623分子式: C14H14O2S2 分子量: 278.4IUPAC Name: 1-benzylsulfanylsulfonyl-4-methylbenzeneSMILES: CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2InChIKey: AJHXMWXYVYOBQI-UHFFFAOYSA-NInChI: InChI=1S/C14H14O2S2/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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