Ligand |
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| Ligand Name: 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | ||
| HET ID: ADB | PubChem: 448532 | |
| DrugBank: DB07343 | ChEMBL: CHEMBL70967 | |
| Canonical SMILES: N#Cc1ccc(cc1)Nc1nc(N)nc(n1)Oc1c(Cl)cccc1Cl | ||
| Standard InChI: InChI=1S/C16H10Cl2N6O/c17-11-2-1-3-12(18)13(11)25-16-23-14(20)22-15(24-16)21-10-6-4-9(8-19)5-7-10/h1-7H,(H3,20,21,22,23,24) | ||
| Molecular Formula: C16H10Cl2N6O | Mol. Weight: 373.1962 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 4.82238 |
| HBD: 2 | HBA: 6 | TPSA: 109.74 |
| #Bonds: 27 | #Rotatable Bonds: 4 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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