Ligand |
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| Ligand Name: 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione | ||
| HET ID: P0W | PubChem: 51086836 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(Cc1ccn(n1)c1ccccc1)Cc1cc(=O)[nH]c(=O)[nH]1 | ||
| Standard InChI: InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23) | ||
| Molecular Formula: C16H17N5O2 | Mol. Weight: 311.33847 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 0.8809 |
| HBD: 2 | HBA: 5 | TPSA: 86.78 |
| #Bonds: 27 | #Rotatable Bonds: 5 | Shape Complexity: 0.1875 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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