 |
| Ligand Name:
6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine |
| HET ID: 539 |
PubChem:
117072548
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1 |
| Standard InChI: InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24) |
| Molecular Formula: C18H16Cl2N4 |
Mol. Weight: 359.25244 |
Heavy Atoms: 24 |
| Charge: 0 |
Is Chiral: False |
logP: 5.4261 |
| HBD: 1 |
HBA: 4 |
TPSA: 50.7 |
| #Bonds: 27 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.2777778 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |