 |
| Ligand Name: IC-3 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB150 |
PubChem:
11198569
|
Synonym(s):
- 796874-99-2
- kyp-2047
- chembl189620
- (2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile
- (2s)-1-[[(2s)-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinyl]carbonyl]-2-pyrrolidinecarbonitrile
- 4an0
- ex-a2764
- kyp 2047
- bdbm50155838
- zinc13584669
- kyp-2047, >=95% (hplc)
- 4-phenylbutanoyl-l-prolyl-2(s)-cyanopyrrolidine
- q27453163
- (s)-1-((4-phenylbutanoyl)-l-prolyl)pyrrolidine-2-carbonitrile
- (s)-1-((s)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile
- (s)-1-[(s)-1-(4-phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile
show 15 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL189620 |
| Canonical SMILES: c1ccccc1CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N |
| Standard InChI: InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1 |
| Molecular Formula: C20H25N3O2 |
Mol. Weight: 339.19467 |
logP: 2.51488 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 5 | TPSA: 64.41 |