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Ligand Download |
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| Ligand Name: 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE | ||
| HET ID: E18 | PubChem: 44157894, 72199470 | |
| DrugBank: - | ChEMBL: CHEMBL1232437 | |
| Canonical SMILES: C[NH+](C)CCSC(=NOS(=O)(=O)[O-])CC1=CC=CC=C1 | ||
| Standard InChI: InChI=1S/C12H18N2O4S2/c1-14(2)8-9-19-12(13-18-20(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16,17) | ||
| Molecular Formula: C12H18N2O4S2 | Mol. Weight: 318.41232 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 0.9779 |
| HBD: 1 | HBA: 6 | TPSA: 116.91 |
| #Bonds: 21 | #Rotatable Bonds: 8 | Shape Complexity: 0.41666666 |
| Stereocomplexity: 0.0 | ||