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| Ligand Name: 5-{[3,5-bis(trifluoromethyl)phenyl]amino}-3-hydroxy-1,2-thiazole-4-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB115 |
PubChem:
16727885
|
Synonym(s):
- chembl387834
- 5-[3,5-bis(trifluoromethyl)anilino]-3-oxo-isothiazole-4-carbonitrile
- 4-isothiazolecarbonitrile, 5-[[3,5-bis(trifluoromethyl)phenyl]amino]-2,3-dihydro-3-oxo-
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL387834 |
| Canonical SMILES: O=c1[nH]sc(c1C#N)Nc2cc(C(F)(F)F)cc(c2)C(F)(F)F |
| Standard InChI: InChI=1S/C12H5F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)20-10-8(4-19)9(22)21-23-10/h1-3,20H,(H,21,22) |
| Molecular Formula: C12H5F6N3OS |
Mol. Weight: 353.00574 |
logP: 4.08928 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 2 | TPSA: 68.68 |