SARS-CoV-IN-1
HIT214315003
sdf文件结构编辑类似物检索
HIT ID: HIT214315003
Cas No: 888958-25-6
分子式: C23H24ClFeN3O
分子量: 449.76
常用名: SARS-CoV-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-{[(7-chloroquinolin-4-yl)amino]methyl}-2-{[(2-hydroxyethyl)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)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: [#6](-[#7]-[#6][C]12=[#6;v5]3-[#6;v5]4=[#6;v5]5[C-]1([#6]-[#7]-c1c6ccc(cc6ncc1)Cl)[Fe++]23451234[#6;v5]-5=[#6;v5]1-[#6;v5]2=[#6;v5]3-[#6;v4-]4-5)-[#6]-[#8] |c:5,29,33|
SMILES: [#6](-[#7]-[#6][C]12=[#6;v5]3-[#6;v5]4=[#6;v5]5[C-]1([#6]-[#7]-c1c6ccc(cc6ncc1)Cl)[Fe++]23451234[#6;v5]-5=[#6;v5]1-[#6;v5]2=[#6;v5]3-[#6;v4-]4-5)-[#6]-[#8] |c:5,29,33|
InChI key: DAHLJPJUIGBZJJ-UHFFFAOYSA-N
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