Kaldil
HIT214319609
sdf文件结构编辑类似物检索
HIT ID: HIT214319609
Cas No: 16960-31-9
分子式: C30H35N5O9S
分子量: 641.7
常用名: Kaldil
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propane-1-sulfonic acid
IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propane-1-sulfonic acid
SMILES: Cn1c2ncn(CCCS(O)(=O)=O)c2c(=O)n(C)c1=O.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
SMILES: Cn1c2ncn(CCCS(O)(=O)=O)c2c(=O)n(C)c1=O.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
InChI key: SMKJPZGXRDEGNE-UHFFFAOYSA-N
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