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| Ligand Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB30 |
PubChem:
25142042
|
Synonym(s):
- chembl2164678
- schembl2244605
- bdbm50395224
- q27451189
- (1r,2r)-n-(1-cyanocyclopropyl)-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL2164678 |
| Canonical SMILES: Fc(c1)ccc(c12)[nH]c3c2CN(CC3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(C#N)CC5 |
| Standard InChI: InChI=1S/C23H25FN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1 |
| Molecular Formula: C23H25FN4O2 |
Mol. Weight: 408.19617 |
logP: 3.17048 |
| HBD: 2 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 88.99 |