化学生物学
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Tolterodine-L-酒石酸盐CAS号 : 124937-51-5 Compound CID : 443879分子式: C22H31NO 分子量: 325.5IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenolSMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2InChIKey: OOGJQPCLVADCPB-HXUWFJFHSA-NInChI: InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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依拉嗪,EleclazineCAS号 : 1443211-72-0 Compound CID : 71183216分子式: C21H16F3N3O3 分子量: 415.372IUPAC Name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-oneSMILES: C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4InChIKey: YNUAEEJQYHYLMS-UHFFFAOYSA-NInChI: InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2
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1,2-二氢-6-羟基-2-氧代-3-氰基吡啶CAS号 : 35441-10-2 Compound CID : 100608分子式: C6H4N2O2 分子量: 136.11IUPAC Name: 2-hydroxy-6-oxo-1H-pyridine-3-carbonitrileSMILES: C1=CC(=O)NC(=C1C#N)OInChIKey: BFHKYHMCIAMQIN-UHFFFAOYSA-NInChI: InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)