小分子和化合物库
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ASP 9521,5型17β-羟类固醇脱氢酶抑制剂CAS号 : 1126084-37-4 Compound CID : 25210792分子式: C19H26N2O3 分子量: 330.42IUPAC Name: [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanoneSMILES: CC(C)(CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC)OInChIKey: OXSCPDKUZWPWFR-UHFFFAOYSA-NInChI: InChI=1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3
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AZD4547CAS号 : 1035270-39-3(DMSO)分子式: C26H33N5O3 分子量: 463.57SMILES: COC1=CC(=CC(=C1)OC)CCC2=CC(=N[NH]2)NC(=O)C3=CC=C(C=C3)N4CC(C)NC(C)C4
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Dinaciclib (SCH727965)CAS号 : 779353-01-4(DMSO)分子式: C21H28N6O2 分子量: 396.49SMILES: CCC1=C2N=C(C=C(NCC3=CC=C[N+](=C3)[O-])[N]2N=C1)N4CCCCC4CCO
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Erdafitinib (JNJ-42756493)CAS号 : 1346242-81-6(DMSO)分子式: C25H30N6O2 分子量: 446.54SMILES: COC1=CC(=CC(=C1)N(CCNC(C)C)C2=CC3=NC(=CN=C3C=C2)C4=C[N](C)N=C4)OC
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Nintedanib (BIBF 1120)CAS号 : 656247-17-5(DMSO)分子式: C31H33N5O4 分子量: 539.62SMILES: COC(=O)C1=CC=C\2C(=C1)NC(=O)C2=C(NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)/C5=CC=CC=C5
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Ponatinib (AP24534)CAS号 : 943319-70-8(DMSO)分子式: C29H27F3N6O 分子量: 532.56SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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吲哚美辛CAS号 : 53-86-1(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC=C2[N](C(=C(CC(O)=O)C2=C1)C)C(=O)C3=CC=C(Cl)C=C3
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托灭酸CAS号 : 13710-19-5(DMSO)分子式: C14H12ClNO2 分子量: 261.7SMILES: CC1=C(Cl)C=CC=C1NC2=C(C=CC=C2)C(O)=O
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醋酸甲羟孕酮CAS号 : 71-58-9(DMSO)分子式: C24H34O4 分子量: 386.52SMILES: CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C4(C)CCC(=O)C=C14
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ASP 9521CAS号 : 1126084-37-4 Compound CID : 25210792分子式: C19H26N2O3 分子量: 330.42IUPAC Name: [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanoneSMILES: CC(C)(CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC)OInChIKey: OXSCPDKUZWPWFR-UHFFFAOYSA-NInChI: InChI=1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3
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