Ligand |
||
 | ||
| Ligand Name: [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | ||
| HET ID: R41 | PubChem: 146026046 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Clc1cc2C[C@@H](Oc2c(c1)c1ccnc(c1)N)C(=O)N1CCNCC1 | ||
| Standard InChI: InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)/t15-/m1/s1 | ||
| Molecular Formula: C18H19ClN4O2 | Mol. Weight: 358.82205 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 2.5674 |
| HBD: 2 | HBA: 6 | TPSA: 80.48 |
| #Bonds: 29 | #Rotatable Bonds: 3 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.055555556 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |