小分子
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ABBV-744CAS号 : 2138861-99-9(DMSO)分子式: C28H30FN3O4 分子量: 491.55SMILES: CCNC(=O)C1=CC2=C([NH]1)C(=O)N(C)C=C2C3=C(OC4=C(C)C=C(F)C=C4C)C=CC(=C3)C(C)(C)O
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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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I-BET151 (GSK1210151A)CAS号 : 1300031-49-5(DMSO)分子式: C23H21N5O3 分子量: 415.44SMILES: COC1=C(C=C2N=CC3=C(N(C(C)C4=CC=CC=N4)C(=O)N3)C2=C1)C5=C(C)ON=C5C
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Molibresib (I-BET-762)CAS号 : 1260907-17-2(DMSO)分子式: C22H22ClN5O2 分子量: 423.9SMILES: CCNC(=O)CC1N=C(C2=CC=C(Cl)C=C2)C3=CC(=CC=C3[N]4C(=NN=C14)C)OC
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阿帕他隆CAS号 : 1044870-39-4(DMSO)分子式: C20H22N2O5 分子量: 370.4SMILES: COC1=CC(=C2C(=O)NC(=NC2=C1)C3=CC(=C(OCCO)C(=C3)C)C)OC
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GSK1324726A (I-BET726)CAS号 : 1300031-52-0分子式: C25H23ClN2O3 分子量: 434.91IUPAC Name: 4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acidSMILES: CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)ClInChIKey: FAWSUKOIROHXAP-NPMXOYFQSA-NInChI: InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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LosmapimodCAS号 : 585543-15-3分子式: C22H26FN3O2 分子量: 383.46IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamideSMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)CInChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-NInChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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米维布塞CAS号 : 1445993-26-9分子式: C22H19F2N3O4S 分子量: 459.47IUPAC Name: N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamideSMILES: CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)CInChIKey: RDONXGFGWSSFMY-UHFFFAOYSA-NInChI: InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
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Neratinib (HKI-272)CAS号 : 698387-09-6分子式: C30H29ClN6O3 分子量: 557.04IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)CInChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-NInChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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OTX015CAS号 : 202590-98-5分子式: C25H22ClN5O2S 分子量: 491.99IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamideSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)CInChIKey: GNMUEVRJHCWKTO-FQEVSTJZSA-NInChI: InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1