 |
| Ligand Name:
1-(4-(7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl)prop-2-en-1-one
|
| Canonical SMILES: C=CC(=O)N1CCN(CC1)c1ncnc2CN(CCc12)c1cccc2ccccc12 |
| Standard InChI: InChI=1S/C24H25N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h2-9,17H,1,10-16H2 |
| HET Code: K9M |
PubChem:
132162816
|
| DrugBank: - |
ChEMBL: CHEMBL4466927 |
| Molecular Formula: C24H25N5O |
Mol. Weight: 399.2059 |
logP: 3.0271 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 3 | TPSA: 52.57 |
