小分子和化合物库
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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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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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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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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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SB 203580(DMSO溶液)CAS号 : 152121-47-6(DMSO)分子式: C21H16FN3OS 分子量: 377.43SMILES: C[S](=O)C1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=C4
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TAE226 (NVP-TAE226)CAS号 : 761437-28-9(DMSO)分子式: C23H25ClN6O3 分子量: 468.94SMILES: CNC(=O)C1=C(NC2=C(Cl)C=NC(=N2)NC3=C(OC)C=C(C=C3)N4CCOCC4)C=CC=C1
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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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蒽[1,9-cd]吡唑-6(2H)-酮CAS号 : 129-56-6(DMSO)分子式: C14H8N2O 分子量: 220.23SMILES: O=C1C2=C(C=CC=C2)C3=N[NH]C4=CC=CC1=C34
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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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