 |
| Ligand Name:
6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE |
| HET ID: MZA |
PubChem:
11950431
|
| DrugBank: - |
ChEMBL: CHEMBL1615104 |
| Canonical SMILES: Clc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@H]1CCN(C1=O)c1ccc2c(c1F)CCNC2 |
| Standard InChI: InChI=1S/C23H21ClFN3O3S/c24-17-4-1-15-12-18(5-2-14(15)11-17)32(30,31)27-20-8-10-28(23(20)29)21-6-3-16-13-26-9-7-19(16)22(21)25/h1-6,11-12,20,26-27H,7-10,13H2/t20-/m0/s1 |
| Molecular Formula: C23H21ClFN3O3S |
Mol. Weight: 473.94754 |
Heavy Atoms: 32 |
| Charge: 0 |
Is Chiral: True |
logP: 5.2273 |
| HBD: 2 |
HBA: 6 |
TPSA: 86.89 |
| #Bonds: 37 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.26086956 |
| Stereocomplexity: 0.04347826 |
Ligand Type: Small Molecule |