小分子和化合物库
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SL-327,MEK抑制剂CAS号 : 305350-87-2 Compound CID : 9549284分子式: C16H12F3N3S 分子量: 335.35IUPAC Name: (Z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrileSMILES: C1=CC=C(C(=C1)C(=C(N)SC2=CC=C(C=C2)N)C#N)C(F)(F)FInChIKey: JLOXTZFYJNCPIS-FYWRMAATSA-NInChI: InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
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AZD8330CAS号 : 869357-68-6(DMSO)分子式: C16H17FIN3O4 分子量: 461.23SMILES: CN1C(=O)C(=CC(=C1NC2=C(F)C=C(I)C=C2)C(=O)NOCCO)C
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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Binimetinib (MEK162)CAS号 : 606143-89-9(DMSO)分子式: C17H15BrF2N4O3 分子量: 441.23SMILES: C[N]1C=NC2=C1C=C(C(=O)NOCCO)C(=C2F)NC3=C(F)C=C(Br)C=C3
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Mirdametinib (PD0325901)CAS号 : 391210-10-9(DMSO)分子式: C16H14F3IN2O4 分子量: 482.19SMILES: OCC(O)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(=C(F)C=C1)F
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TAK-733CAS号 : 1035555-63-5(DMSO)分子式: C17H15F2IN4O4 分子量: 504.23SMILES: CN1C(=O)C(=C(NC2=CC=C(I)C=C2F)C3=C1N=CN(CC(O)CO)C3=O)F
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考比替尼CAS号 : 934660-93-2(DMSO)分子式: C21H21F3IN3O2 分子量: 531.31SMILES: OC1(CN(C1)C(=O)C2=C(NC3=CC=C(I)C=C3F)C(=C(F)C=C2)F)C4CCCCN4
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Avacopan (CCX168)CAS号 : 1346623-17-3 Compound CID : 49841217分子式: C33H35F4N3O2 分子量: 581.64IUPAC Name: (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamideSMILES: CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)FInChIKey: PUKBOVABABRILL-YZNIXAGQSA-NInChI: InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
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BAY 869766CAS号 : 923032-37-5 Compound CID : 44182295分子式: C19H20F3IN2O5S 分子量: 572.34IUPAC Name: N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamideSMILES: COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)FInChIKey: RDSACQWTXKSHJT-NSHDSACASA-NInChI: InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
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