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Ligand Download |
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| Ligand Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine | ||
| HET ID: CT4 | PubChem: 213027, 135529435, 135779804, 86287519 | |
| DrugBank: - | ChEMBL: CHEMBL259727 | |
| Canonical SMILES: [O-][N+](=O)/N=C(NC)/NCc1cnc(s1)Cl | ||
| Standard InChI: InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11) | ||
| Molecular Formula: C6H8ClN5O2S | Mol. Weight: 249.67802 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 1.9582 |
| HBD: 2 | HBA: 5 | TPSA: 123.37 |
| #Bonds: 15 | #Rotatable Bonds: 5 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | ||