 |
| 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 |
Ligand Type: Small Molecule |