Ligand |
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| Ligand Name: 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | ||
| HET ID: M4K | PubChem: 146018695 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1CC(=NC(=O)N1)CN(C1CC1)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20) | ||
| Molecular Formula: C15H17N3O2 | Mol. Weight: 271.3144 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 1.4963 |
| HBD: 1 | HBA: 5 | TPSA: 61.77 |
| #Bonds: 22 | #Rotatable Bonds: 5 | Shape Complexity: 0.4 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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