SARS-CoV-IN-2
HIT214315004
sdf文件结构编辑类似物检索
HIT ID: HIT214315004
Cas No: 888958-26-7
分子式: C24H26ClFeN3O
分子量: 463.79
常用名: SARS-CoV-IN-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-{[(7-chloroquinolin-4-yl)amino]methyl}-2-{[(2-hydroxyethyl)(methyl)amino]methyl}-1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraene-1,1-bis(ylium)-6,6'-diuide
IUPAC: 6-{[(7-chloroquinolin-4-yl)amino]methyl}-2-{[(2-hydroxyethyl)(methyl)amino]methyl}-1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraene-1,1-bis(ylium)-6,6'-diuide
SMILES: [Fe++]123456789[C-]%10([C]1(=[#6;v5]2-[#6;v5]3=[#6;v5]4%10)[#6]-[#7](-[#6]-[#6]-[#8])-[#6])[#6]-[#7]-c1ccnc2cc(Cl)ccc12.[#6;v5]5-1=[#6;v5]6-[#6;v4-]7-[#6;v5]8=[#6;v5]9-1 |c:7,32,38|
SMILES: [Fe++]123456789[C-]%10([C]1(=[#6;v5]2-[#6;v5]3=[#6;v5]4%10)[#6]-[#7](-[#6]-[#6]-[#8])-[#6])[#6]-[#7]-c1ccnc2cc(Cl)ccc12.[#6;v5]5-1=[#6;v5]6-[#6;v4-]7-[#6;v5]8=[#6;v5]9-1 |c:7,32,38|
InChI key: LOUVYAFAGPRJGD-UHFFFAOYSA-N
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