 |
| 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 |
Ligand Type: Small Molecule |