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Ligand Download |
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| 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 | ||