 |
| Ligand Name:
1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine |
| HET ID: FE6 |
PubChem:
134479956
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Brc1ccc(c(c1)F)Cn1ncc2c1nc(N)nc2Cl |
| Standard InChI: InChI=1S/C12H8BrClFN5/c13-7-2-1-6(9(15)3-7)5-20-11-8(4-17-20)10(14)18-12(16)19-11/h1-4H,5H2,(H2,16,18,19) |
| Molecular Formula: C12H8BrClFN5 |
Mol. Weight: 356.5808 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: False |
logP: 3.593 |
| HBD: 1 |
HBA: 5 |
TPSA: 69.62 |
| #Bonds: 22 |
#Rotatable Bonds: 2 |
Shape Complexity: 0.083333336 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |