 |
| Ligand Name:
[4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE |
| HET ID: ZEN |
PubChem:
446399
|
| DrugBank: DB01836 |
ChEMBL: CHEMBL270527 |
| Canonical SMILES: Clc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1 |
| Standard InChI: InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2 |
| Molecular Formula: C25H27ClN4O3S |
Mol. Weight: 499.02487 |
Heavy Atoms: 34 |
| Charge: 0 |
Is Chiral: False |
logP: 4.6593 |
| HBD: 0 |
HBA: 7 |
TPSA: 82.2 |
| #Bonds: 38 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.36 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |