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Ligand Download |
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| Ligand Name: 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine | ||
| HET ID: 3RM | PubChem: 13686033 | |
| DrugBank: - | ChEMBL: CHEMBL1215473 | |
| Canonical SMILES: Brc1ccc(cc1)OCCN1CCN(CC1)c1nnc([nH]1)N | ||
| Standard InChI: InChI=1S/C14H19BrN6O/c15-11-1-3-12(4-2-11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19) | ||
| Molecular Formula: C14H19BrN6O | Mol. Weight: 367.24426 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 1.9345 |
| HBD: 2 | HBA: 6 | TPSA: 83.3 |
| #Bonds: 25 | #Rotatable Bonds: 5 | Shape Complexity: 0.42857143 |
| Stereocomplexity: 0.0 | ||