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| Ligand Name: 1-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-3-yl]triaza-1,2-dien-2-ium |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB228 |
PubChem:
71462596
|
Synonym(s):
- chembl2178958
- bdbm50399718
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL2178958 |
| Canonical SMILES: [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |
| Standard InChI: InChI=1S/C20H24N6O2/c21-13-17-9-5-11-25(17)20(28)18-12-16(23-24-22)14-26(18)19(27)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-12,14H2/t16-,17-,18-/m0/s1 |
| Molecular Formula: C20H24N6O2 |
Mol. Weight: 380.19608 |
logP: 2.80368 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 6 | TPSA: 113.17 |