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Ligand Download |
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| Ligand Name: 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE | ||
| HET ID: TPB | PubChem: 214347 | |
| DrugBank: DB08639 | ChEMBL: CHEMBL70663 | |
| Canonical SMILES: N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)cc(cc1C)C | ||
| Standard InChI: InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25) | ||
| Molecular Formula: C20H19N5 | Mol. Weight: 329.39835 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 4.90668 |
| HBD: 2 | HBA: 3 | TPSA: 73.63 |
| #Bonds: 27 | #Rotatable Bonds: 4 | Shape Complexity: 0.15789473 |
| Stereocomplexity: 0.0 | ||