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Ligand Download |
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| 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 | ||