Ligand |
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| Ligand Name: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine | ||
| HET ID: Q3D | PubChem: 146681126 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Fc1ccc2c(c1CNc1ncc(c3n1cnc3S(=O)(=O)C)c1ccc(nc1)C1CC1)CCO2 | ||
| Standard InChI: InChI=1S/C24H22FN5O3S/c1-34(31,32)23-22-17(15-4-6-20(26-10-15)14-2-3-14)11-27-24(30(22)13-29-23)28-12-18-16-8-9-33-21(16)7-5-19(18)25/h4-7,10-11,13-14H,2-3,8-9,12H2,1H3,(H,27,28) | ||
| Molecular Formula: C24H22FN5O3S | Mol. Weight: 479.52658 | Heavy Atoms: 34 |
| Charge: 0 | Is Chiral: False | logP: 4.9121 |
| HBD: 1 | HBA: 8 | TPSA: 106.86 |
| #Bonds: 39 | #Rotatable Bonds: 6 | Shape Complexity: 0.29166666 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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