化学生物学
选项
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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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2-(2-氯吡啶-4-基)-1,5,6,7-四氢-4H-吡咯并[3,2-c]吡啶-4-酮CAS号 : 724726-05-0 Compound CID : 16720432分子式: C12H10ClN3O 分子量: 247.68IUPAC Name: 2-(2-chloropyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-oneSMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)ClInChIKey: JTRXEPCDEVNYPE-UHFFFAOYSA-NInChI: InChI=1S/C12H10ClN3O/c13-11-5-7(1-3-14-11)10-6-8-9(16-10)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)
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Razaxaban盐酸盐CAS号 : 405940-76-3 Compound CID : 204101分子式: C24H21ClF4N8O2 分子量: 564.92IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide;hydrochlorideSMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F.ClInChIKey: CASCTHHMARGRLB-UHFFFAOYSA-NInChI: InChI=1S/C24H20F4N8O2.ClH/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19;/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37);1H