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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1,3-BIS(3,4-二氯苯)脲分子式: C13H8Cl4N2O 分子量: 350.034IUPAC Name: 1,3-bis(3,4-dichlorophenyl)ureaSMILES: C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)ClInChIKey: ZDPIZPXVHVYTOK-UHFFFAOYSA-NInChI: InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
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1-(4-氯苯甲基)靛红CAS号 : 26960-66-7 Compound CID : 277990分子式: C15H10ClNO2 分子量: 271.705IUPAC Name: 1-[(4-chlorophenyl)methyl]indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)ClInChIKey: VEBLIIOSJXGVAW-UHFFFAOYSA-NInChI: InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
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1-(3,4-二甲基-苯基)-2-苯基-乙烷-1,2-二酮CAS号 : 59411-15-3 Compound CID : 2427416分子式: C16H14O2 分子量: 238.289IUPAC Name: 1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dioneSMILES: CC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)CInChIKey: UJARQLWFLLIFBN-UHFFFAOYSA-NInChI: InChI=1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3
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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