LEK 8841
HIT212711515
sdf文件结构编辑类似物检索
HIT ID: HIT212711515
Cas No: 145204-80-4
分子式: C21H24BrN3O4S
分子量: 494.4
常用名: LEK 8841
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 2.2650902
IUPAC: (4R,7R)-10-bromo-N,6-dimethyl-N-(prop-2-yn-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide; methanesulfonic acid
IUPAC: (4R,7R)-10-bromo-N,6-dimethyl-N-(prop-2-yn-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide; methanesulfonic acid
SMILES: CS(O)(=O)=O.[H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(C)CC#C)c34 |c:17|
SMILES: CS(O)(=O)=O.[H][C@@]12Cc3c(Br)[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(C)CC#C)c34 |c:17|
InChI key: FWTCLZWHQXOPTF-JSUROZADSA-N
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