化学生物学
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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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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(5-(4-氯苯基)-3H-[1,2,3]三唑并[4,5-b]吡啶-3-基)(4-(3-(三氟甲基)苯基)哌嗪-1-基)甲酮CAS号 : 1072874-79-3 Compound CID : 25054135分子式: C23H18ClF3N6O 分子量: 486.88IUPAC Name: [5-(4-chlorophenyl)triazolo[4,5-b]pyridin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanoneSMILES: C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3C4=C(C=CC(=N4)C5=CC=C(C=C5)Cl)N=N3InChIKey: GQZISVAEKVEVFV-UHFFFAOYSA-NInChI: InChI=1S/C23H18ClF3N6O/c24-17-6-4-15(5-7-17)19-8-9-20-21(28-19)33(30-29-20)22(34)32-12-10-31(11-13-32)18-3-1-2-16(14-18)23(25,26)27/h1-9,14H,10-13H2
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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)