化学生物学
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AZD-5153CAS号 : 1869912-39-9 Compound CID : 118693659分子式: C25H33N7O3 分子量: 479.585IUPAC Name: (3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-oneSMILES: CC1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)CInChIKey: RSMYFSPOTCDHHJ-GOSISDBHSA-NInChI: InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1
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(+/-)-JQ1,Brd4 抑制剂CAS号 : 1268524-69-1 Compound CID : 49871817分子式: C23H25ClN4O2S 分子量: 457IUPAC Name: tert-butyl 2-[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]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-UHFFFAOYSA-NInChI: InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3
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1-苄基-4-(5,6-二甲氧基-1-氧杂茚满-2-基茚甲基)哌啶CAS号 : 120014-07-5 Compound CID : 10762160分子式: C24H27NO3 分子量: 377.5IUPAC Name: (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OCInChIKey: LPMOTUSFDTTWJL-UDWIEESQSA-NInChI: InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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2,4-二羟基吡咯[2,3-d]嘧啶CAS号 : 39929-79-8 Compound CID : 11819216分子式: C6H5N3O2 分子量: 151.1IUPAC Name: 1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dioneSMILES: C1=CNC2=C1C(=O)NC(=O)N2InChIKey: HASUWNAFLUMMFI-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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Z-苯丙酰胺-丙氨酸-OHCAS号 : 21881-18-5 Compound CID : 152128分子式: C20H22N2O5 分子量: 370.4IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acidSMILES: CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2InChIKey: LEJTXQOVOPDGHS-YOEHRIQHSA-NInChI: InChI=1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1