CHEMBL2158411
CHEMBL2158411
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SMILES | COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)c1cccs1 |
InChIKey | JSLFGFBQFKCNSQ-NHONBVHKSA-N |
Chemical Properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 6 |
Rotatable bonds | 16 |
Molecular weight (Da) | 1076.3 |
Database connections
Structure pdb | 7X8R |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL2158411
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Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No
Database connections
Structure pdb | 7X8R |