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小分子和化合物库
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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PhenserineCAS号 : 101246-66-6 Compound CID : 192706分子式: C20H23N3O2 分子量: 337.42IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamateSMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)CInChIKey: PBHFNBQPZCRWQP-QUCCMNQESA-NInChI: InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
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Irinotecan (CPT-11)CAS号 : 97682-44-5(DMSO)分子式: C33H38N4O6 分子量: 586.68SMILES: CCC1=C2C=C(OC(=O)N3CCC(CC3)N4CCCCC4)C=CC2=NC5=C1CN6C(=O)C7=C(C=C56)C(O)(CC)C(=O)OC7
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漆黄素CAS号 : 528-48-3(DMSO)分子式: C15H10O6 分子量: 286.24SMILES: OC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(O)C=C3)O)O
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芹菜素CAS号 : 520-36-5(DMSO)分子式: C15H10O5 分子量: 270.24SMILES: OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(O)C=C3O
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AlfuzosinCAS号 : 81403-80-7 Compound CID : 2092分子式: C19H27N5O4 分子量: 389.45IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamideSMILES: CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OCInChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-NInChI: InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
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小檗碱分子式: C20H18NO4 分子量: 336.37IUPAC Name: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaeneSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OCInChIKey: YBHILYKTIRIUTE-UHFFFAOYSA-NInChI: InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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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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4-甲基-2-(1-哌啶基)-喹啉CAS号 : 5465-86-1(DMSO) Compound CID : 230710分子式: C15H18N2 分子量: 226.32IUPAC Name: 4-methyl-2-piperidin-1-ylquinolineSMILES: CC1=CC(=NC2=CC=CC=C12)N3CCCCC3InChIKey: USYRQXDHKXGTCK-UHFFFAOYSA-NInChI: InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
