Name: SMS2-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670436
Cas No:2098890-15-2
常用名:SMS2-IN-1
IUPAC:1-methylcyclopropyl 4-(3-{[3-({[3,5-bis(trifluoromethyl)phenyl]methyl}(methyl)carbamoyl)-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl]oxy}propyl)piperidine-1-carboxylate
IUPAC:1-methylcyclopropyl 4-(3-{[3-({[3,5-bis(trifluoromethyl)phenyl]methyl}(methyl)carbamoyl)-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl]oxy}propyl)piperidine-1-carboxylate
InChI key:JDQOICVJUDEXEQ-UHFFFAOYSA-N

分子式:C34H37F6N3O5
分子量:681.676
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:5.4192286
SMILES:CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2ccccc2n(C)c1=O
SMILES:CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCN(CC2)C(=O)OC2(C)CC2)c2ccccc2n(C)c1=O

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