Ligand |
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| Ligand Name: 3-ISOBUTYL-1-METHYLXANTHINE | ||
| HET ID: IBM | PubChem: 3758 | |
| DrugBank: DB07954 | ChEMBL: CHEMBL275084 | |
| Canonical SMILES: CC(Cn1c(=O)n(C)c(=O)c2c1[nH]cn2)C | ||
| Standard InChI: InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) | ||
| Molecular Formula: C10H14N4O2 | Mol. Weight: 222.24376 | Heavy Atoms: 16 |
| Charge: 0 | Is Chiral: False | logP: 0.0793 |
| HBD: 1 | HBA: 5 | TPSA: 72.68 |
| #Bonds: 18 | #Rotatable Bonds: 2 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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