Name: SARS-CoV-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315003
Cas No:888958-25-6
常用名:SARS-CoV-IN-1
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
InChI key:DAHLJPJUIGBZJJ-UHFFFAOYSA-N

分子式:C23H24ClFeN3O
分子量:449.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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|

SARS-CoV-IN-1 is an effective SARS-CoV replication inhibitor(EC50 of 4.9 μM in Vero cells).

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