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烟曲霉素CAS号 : 23110-15-8 Compound CID : 6917655分子式: C26H34O7 分子量: 458.54IUPAC Name: (2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acidSMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)CInChIKey: NGGMYCMLYOUNGM-CSDLUJIJSA-NInChI: InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
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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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TNP 470CAS号 : 129298-91-5 Compound CID : 369976分子式: C19H28CINO6 分子量: 401.88IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamateSMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)CInChIKey: MSHZHSPISPJWHW-PVDLLORBSA-NInChI: InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
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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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烟曲霉素CAS号 : 23110-15-8 Compound CID : 6917655分子式: C26H34O7 分子量: 458.54IUPAC Name: (2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acidSMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)CInChIKey: NGGMYCMLYOUNGM-CSDLUJIJSA-NInChI: InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
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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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