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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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AT7519CAS号 : 844442-38-2(DMSO)分子式: C16H17Cl2N5O2 分子量: 382.24SMILES: ClC1=CC=CC(=C1C(=O)NC2=C[NH]N=C2C(=O)NC3CCNCC3)Cl
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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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Alisertib (MLN8237)CAS号 : 1028486-01-2(DMSO)分子式: C27H20ClFN4O4 分子量: 518.92SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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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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P276-00CAS号 : 920113-03-7(DMSO)分子式: C21H20ClNO5·HCl 分子量: 438.3SMILES: Cl.CN1CCC(C1CO)C2=C(O)C=C(O)C3=C2OC(=CC3=O)C4=C(Cl)C=CC=C4
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SNS-032 (BMS-387032)CAS号 : 345627-80-7(DMSO)分子式: C17H24N4O2S2 分子量: 380.53SMILES: CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1
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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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AST-487 (NVP-AST487)CAS号 : 630124-46-8分子式: C26H30F3N7O2 分子量: 529.56IUPAC Name: 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]ureaSMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)FInChIKey: ODPGGGTTYSGTGO-UHFFFAOYSA-NInChI: InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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BromosporineCAS号 : 1619994-69-2分子式: C17H20N6O4S 分子量: 404.44IUPAC Name: ethyl N-[6-[3-(methanesulfonamido)-4-methylphenyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamateSMILES: CCOC(=O)NC1=CC(=NN2C1=NN=C2C)C3=CC(=C(C=C3)C)NS(=O)(=O)CInChIKey: UYBRROMMFMPJAN-UHFFFAOYSA-NInChI: InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
