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Ligand Download |
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| Ligand Name: 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | ||
| HET ID: BBO | PubChem: 2826521 | |
| DrugBank: - | ChEMBL: CHEMBL4069989 | |
| Canonical SMILES: O=c1n(CCCN2CCOCC2)c(=O)c2c3c1cccc3ccc2 | ||
| Standard InChI: InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2 | ||
| Molecular Formula: C19H20N2O3 | Mol. Weight: 324.3737 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 1.6129 |
| HBD: 0 | HBA: 5 | TPSA: 51.54 |
| #Bonds: 27 | #Rotatable Bonds: 4 | Shape Complexity: 0.36842105 |
| Stereocomplexity: 0.0 | ||