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Ligand Download |
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| Ligand Name: 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine | ||
| HET ID: 2OD | PubChem: 76285486, 51351707 | |
| DrugBank: - | ChEMBL: CHEMBL3109630 | |
| Canonical SMILES: COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N | ||
| Standard InChI: InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | ||
| Molecular Formula: C19H27N3O2 | Mol. Weight: 329.43658 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 3.0577 |
| HBD: 1 | HBA: 5 | TPSA: 60.08 |
| #Bonds: 27 | #Rotatable Bonds: 6 | Shape Complexity: 0.6315789 |
| Stereocomplexity: 0.0 | ||