Ligand |
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| Ligand Name: 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine | ||
| HET ID: H7Q | PubChem: 137349493 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NC1=Nc2c(C31CCCC3)cc(c(c2)OCCCN1Cc2c(C1)cccc2)OCC1CC1 | ||
| Standard InChI: InChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29) | ||
| Molecular Formula: C27H33N3O2 | Mol. Weight: 431.56982 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: False | logP: 5.148 |
| HBD: 1 | HBA: 5 | TPSA: 60.08 |
| #Bonds: 37 | #Rotatable Bonds: 8 | Shape Complexity: 0.5185185 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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