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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3-(1H-咪唑-1-基甲基)苯胺CAS号 : 120107-85-9 Compound CID : 6481821分子式: C10H11N3 分子量: 173.2IUPAC Name: 3-(imidazol-1-ylmethyl)anilineSMILES: C1=CC(=CC(=C1)N)CN2C=CN=C2InChIKey: HOZXQBSHRUITCX-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7,11H2
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1-(4-氨基苄基)-1H-咪唑CAS号 : 56643-85-7 Compound CID : 1265319分子式: C10H11N3 分子量: 173.21IUPAC Name: 4-(imidazol-1-ylmethyl)anilineSMILES: C1=CC(=CC=C1CN2C=CN=C2)NInChIKey: DGHAOTHIDTUSJY-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7,11H2
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1-(4-溴苄基)-1H-咪唑CAS号 : 72459-46-2 Compound CID : 2989557分子式: C10H9BrN2 分子量: 237.1IUPAC Name: 1-[(4-bromophenyl)methyl]imidazoleSMILES: C1=CC(=CC=C1CN2C=CN=C2)BrInChIKey: MZJSYLIOMLCYIS-UHFFFAOYSA-NInChI: InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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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