小分子和化合物库
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塞马西尼CAS号 : 204005-46-9分子式: C15H14N2O 分子量: 238.28IUPAC Name: (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-oneSMILES: CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)CInChIKey: WUWDLXZGHZSWQZ-WQLSENKSSA-NInChI: InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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JNK-IN-7CAS号 : 1408064-71-0 Compound CID : 57340685分子式: C28H27N7O2 分子量: 493.56IUPAC Name: 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideSMILES: CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4InChIKey: RADRIIWGHYFWPP-WEVVVXLNSA-NInChI: InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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SR 3576,JNK3抑制剂CAS号 : 1164153-22-3 Compound CID : 70702008分子式: C27H27N5O5 分子量: 501.54IUPAC Name: 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamideSMILES: CC1=CC(=CC=C1)NC(=O)NC2=CN(N=C2)C3=CC=CC(=C3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OCInChIKey: MTFAYLZZDJGFGV-UHFFFAOYSA-NInChI: InChI=1S/C27H27N5O5/c1-17-7-5-9-19(11-17)30-27(34)31-21-15-28-32(16-21)22-10-6-8-18(12-22)26(33)29-20-13-23(35-2)25(37-4)24(14-20)36-3/h5-16H,1-4H3,(H,29,33)(H2,30,31,34)
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Brivanib (BMS-540215)CAS号 : 649735-46-6(DMSO)分子式: C19H19FN4O3 分子量: 370.38SMILES: CC(O)COC1=C[N]2N=CN=C(OC3=C(F)C4=C([NH]C(=C4)C)C=C3)C2=C1C
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Cabozantinib (BMS-907351)CAS号 : 849217-68-1(DMSO)分子式: C28H24FN3O5 分子量: 501.51SMILES: COC1=CC2=C(C=C1OC)C(=CC=N2)OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3
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Cediranib (AZD2171)CAS号 : 288383-20-0(DMSO)分子式: C25H27FN4O3 分子量: 450.51SMILES: COC1=C(OCCCN2CCCC2)C=C3N=CN=C(OC4=C(F)C5=C([NH]C(=C5)C)C=C4)C3=C1
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Dovitinib (TKI-258)CAS号 : 405169-16-6(DMSO)分子式: C21H21FN6O 分子量: 392.43SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C([NH]3)C4=C(N)C5=C(NC4=O)C=CC=C5F
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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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JNK-IN-8CAS号 : 1410880-22-6(DMSO)分子式: C29H29N7O2 分子量: 507.59SMILES: CN(C)C/C=C/C(=O)NC1=CC(=CC=C1)C(=O)NC2=CC=C(NC3=NC=CC(=N3)C4=CC=CN=C4)C(=C2)C
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Lenvatinib (E7080)CAS号 : 417716-92-8(DMSO)分子式: C21H19ClN4O4 分子量: 426.85SMILES: COC1=C(C=C2C(=CC=NC2=C1)OC3=CC(=C(NC(=O)NC4CC4)C=C3)Cl)C(N)=O
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Linifanib (ABT-869)CAS号 : 796967-16-3(DMSO)分子式: C21H18FN5O 分子量: 375.41SMILES: CC1=CC(=C(F)C=C1)NC(=O)NC2=CC=C(C=C2)C3=C4C(=N[NH]C4=CC=C3)N
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