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| Ligand Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (1~{S},5~{R})-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB735 |
PubChem:
137349224
|
Synonym(s):
- chembl4076777
- bdbm50255786
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Fc1ccc(cc1)-n2ccc(n2)[C@H]3[C@@H]([C@@H]34)CN(C4)C(=O)ON5C(=O)CCC5=O |
| Standard InChI: InChI=1S/C19H17FN4O4/c20-11-1-3-12(4-2-11)23-8-7-15(21-23)18-13-9-22(10-14(13)18)19(27)28-24-16(25)5-6-17(24)26/h1-4,7-8,13-14,18H,5-6,9-10H2/t13-,14+,18+ |
| Molecular Formula: C19H17FN4O4 |
Mol. Weight: 384.12338 |
logP: 1.8572 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 3 | TPSA: 84.74 |