Ligand |
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| Ligand Name: Z4439011607 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1417 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: c1ccncc1[C@H](C(=O)NC(C)(C)C)N(C(=O)C=C)c2cc(on2)C(C)(C)C | ||
| Standard InChI: InChI=1S/C21H28N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h8-13,18H,1H2,2-7H3,(H,23,27)/t18-/m1/s1 | ||
| Molecular Formula: C21H28N4O3 | Mol. Weight: 384.21616 | logP: 3.5421 |
| HBD: 1 | HBA: 5 | |
| #Rotatable Bonds: 5 | TPSA: 88.33 | |