Name: YM 218
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212713955
Cas No:387816-81-1
常用名:YM 218
别名:YM-218, YM218
IUPAC:N-{4-[(5Z)-5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethylidene)-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl]phenyl}-2-methylfuran-3-carboxamide
IUPAC:N-{4-[(5Z)-5-(2-{[1,4'-bipiperidin]-1'-yl}-2-oxoethylidene)-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl]phenyl}-2-methylfuran-3-carboxamide
InChI key:VDUUABBYYOPFAW-WMMMYUQOSA-N

分子式:C35H38F2N4O4
分子量:616.71
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:4.549457
SMILES:Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
SMILES:Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12

YM 218 is a novel, potent, selective antagonist of nonpeptide vasopressin V1A receptor.

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