 |
| Ligand Name:
(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZINE-2-CARBOXAMIDE |
| HET ID: D76 |
PubChem:
448997
|
| DrugBank: - |
ChEMBL: CHEMBL1232084 |
| Canonical SMILES: CN1CCc2c(C1)sc(n2)C(=O)N1CCN(C[C@@H]1C(=O)N)S(=O)(=O)c1ccc2c(c1)ccc(c2)Cl |
| Standard InChI: InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1 |
| Molecular Formula: C23H24ClN5O4S2 |
Mol. Weight: 534.0508 |
Heavy Atoms: 35 |
| Charge: 0 |
Is Chiral: True |
logP: 3.533 |
| HBD: 1 |
HBA: 10 |
TPSA: 153.53 |
| #Bonds: 40 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.3478261 |
| Stereocomplexity: 0.04347826 |
Ligand Type: Small Molecule |