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| Ligand Name: 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]-1,4-dihydro-2,6-naphthyridin-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1124 |
PubChem:
- |
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Oc1cccc(F)c1-c(nc2)cc(c23)C(=O)N=C(C3)[C@@H]4CCN(C4)C(=O)C=C |
| Standard InChI: InChI=1S/C21H18FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h2-5,9-10,12,26H,1,6-8,11H2/t12-/m1/s1 |
| Molecular Formula: C21H18FN3O3 |
Mol. Weight: 379.1332 |
logP: 2.7651 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 82.86 |