Ligand |
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| Ligand Name: N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1480 | PubChem: 9887557 | |
Synonym(s):
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| DrugBank: DB08752 | ChEMBL: CHEMBL1236882 | |
| Canonical SMILES: C1CN(C)CCC1(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3 | ||
| Standard InChI: InChI=1S/C21H35N5O3/c1-25-9-7-21(16-22,8-10-25)24-19(27)18(15-17-5-3-2-4-6-17)23-20(28)26-11-13-29-14-12-26/h17-18H,2-15H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1 | ||
| Molecular Formula: C21H35N5O3 | Mol. Weight: 405.274 | logP: 1.47138 |
| HBD: 2 | HBA: 5 | |
| #Rotatable Bonds: 5 | TPSA: 97.7 | |