Ligand |
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| Ligand Name: methyl (2E)‐4‐({2‐oxo‐1H,5H,6H,7H‐cyclopenta[b]pyridin‐3‐yl}formamido)but‐2‐enoate | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB795 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COC(=O)/C=C/CNC(=O)c(c(=O)[nH]1)cc(c12)CCC2 | ||
| Standard InChI: InChI=1S/C14H16N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h3,6,8H,2,4-5,7H2,1H3,(H,15,18)(H,16,19)/b6-3+ | ||
| Molecular Formula: C14H16N2O4 | Mol. Weight: 276.111 | logP: 0.3226 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 4 | TPSA: 88.26 | |