Name: SARS-CoV-IN-3
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315005
Cas No:888958-27-8
常用名:SARS-CoV-IN-3
IUPAC:6-{[(7-chloroquinolin-4-yl)amino]methyl}-2-{[ethyl(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-{[ethyl(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:AIFGBIXHWYLRLR-UHFFFAOYSA-N

分子式:C25H28ClFeN3O
分子量:477.81
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Fe++]123456789[#6;v5]-%10=[#6;v5]1-[#6;v4-]2-[#6;v5]3=[#6;v5]4-%10.[#6](-[#7]-c1ccnc2c1ccc(c2)Cl)[C-]51[#6;v5]6=[#6;v5]7-[#6;v5]8=[C]91[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8] |c:1,7,28|
SMILES:[Fe++]123456789[#6;v5]-%10=[#6;v5]1-[#6;v4-]2-[#6;v5]3=[#6;v5]4-%10.[#6](-[#7]-c1ccnc2c1ccc(c2)Cl)[C-]51[#6;v5]6=[#6;v5]7-[#6;v5]8=[C]91[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8] |c:1,7,28|

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