Ligand |
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| Ligand Name: CPD | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB796 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: c1ccccc1N[C@H]([C@]23C(C(=O)OC)=C(C(=O)OC)[C@H](O2)C=C3)Cc4ccc(C)cc4 | ||
| Standard InChI: InChI=1S/C25H25NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-20,26H,15H2,1-3H3/t19-,20+,25-/m1/s1 | ||
| Molecular Formula: C25H25NO5 | Mol. Weight: 419.17328 | logP: 3.36822 |
| HBD: 1 | HBA: 6 | |
| #Rotatable Bonds: 7 | TPSA: 73.86 | |