Ligand |
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| Ligand Name: PCM-0102998 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB978 | PubChem: 40479775 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ClCC(=O)NNC(=O)C[C@@H](CS1(=O)=O)CC1 | ||
| Standard InChI: InChI=1S/C8H13ClN2O4S/c9-4-8(13)11-10-7(12)3-6-1-2-16(14,15)5-6/h6H,1-5H2,(H,10,12)(H,11,13)/t6-/m0/s1 | ||
| Molecular Formula: C8H13ClN2O4S | Mol. Weight: 268.02844 | logP: -0.8026 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 3 | TPSA: 92.34 | |