 |
| Ligand Name:
N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine |
| HET ID: 73K |
PubChem:
123132228
|
| DrugBank: - |
ChEMBL: CHEMBL4065484 |
| Canonical SMILES: CS(=O)(=O)c1ccc(cc1)c1cnc(n2c1nnc2)NCc1ccco1 |
| Standard InChI: InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) |
| Molecular Formula: C17H15N5O3S |
Mol. Weight: 369.3977 |
Heavy Atoms: 26 |
| Charge: 0 |
Is Chiral: False |
logP: 3.5537 |
| HBD: 1 |
HBA: 8 |
TPSA: 110.77 |
| #Bonds: 29 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.11764706 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |