Ligand |
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| Ligand Name: S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB96 | PubChem: 87327464 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Oc1c(C)cc(cc1C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(F)cc3 | ||
| Standard InChI: InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+ | ||
| Molecular Formula: C25H24FNO2S | Mol. Weight: 421.15118 | logP: 6.31704 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 5 | TPSA: 40.54 | |