KN-93 Phosphate
HIT212650583
sdf文件结构编辑类似物检索
HIT ID: HIT212650583
Cas No: 1913269-12-1;1188890-41-6
分子式: C26H32ClN2O8PS
分子量: 599.03
常用名: KN-93 Phosphate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.7166443
IUPAC: N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide; phosphoric acid
IUPAC: N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide; phosphoric acid
SMILES: OP(O)(O)=O.COc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 |lp:0:2,2:2,3:2,4:2,6:2,14:2,15:2,16:1,19:2,27:1,36:3|
SMILES: OP(O)(O)=O.COc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1CN(C)C\C=C\c1ccc(Cl)cc1 |lp:0:2,2:2,3:2,4:2,6:2,14:2,15:2,16:1,19:2,27:1,36:3|
InChI key: NNKJTPOXLIILMB-IPZCTEOASA-N
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