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Ligand Download |
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| 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 | ||