Ligand |
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| Ligand Name: PCM-0102539 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1357 | PubChem: 42157704 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2 | ||
| Standard InChI: InChI=1S/C13H14ClNO3S/c1-10-2-4-11(5-3-10)15(13(16)8-14)12-6-7-19(17,18)9-12/h2-7,12H,8-9H2,1H3/t12-/m1/s1 | ||
| Molecular Formula: C13H14ClNO3S | Mol. Weight: 299.0383 | logP: 1.87752 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 3 | TPSA: 54.45 | |