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| Ligand Name: 3-(1-ethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)benzamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1052 |
PubChem:
118732785
|
Synonym(s):
- chembl3414697
- 3-(1-ethyl-2,5-dioxo-2,5-dihydro-1h-pyrrole-3-yl)benzamide
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL3414697 |
| Canonical SMILES: CCN1C(=O)C=C(C1=O)c2cccc(c2)C(=O)N |
| Standard InChI: InChI=1S/C13H12N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-7H,2H2,1H3,(H2,14,17) |
| Molecular Formula: C13H12N2O3 |
Mol. Weight: 244.0848 |
logP: 0.5576 |
| HBD: 1 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 80.47 |