 |
| Ligand Name:
2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE |
| HET ID: D01 |
PubChem:
9547923
|
| DrugBank: DB07605 |
ChEMBL: CHEMBL1232037 |
| Canonical SMILES: Clc1ccc2c(c1)cc([nH]2)S(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)[n+]([O-])ccc2 |
| Standard InChI: InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2 |
| Molecular Formula: C20H17ClN4O4S2 |
Mol. Weight: 476.9564 |
Heavy Atoms: 31 |
| Charge: 0 |
Is Chiral: False |
logP: 4.5678 |
| HBD: 1 |
HBA: 7 |
TPSA: 135.56 |
| #Bonds: 36 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.2 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |