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Ligand Download |
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| Ligand Name: 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | ||
| HET ID: DQS | PubChem: 118908379 | |
| DrugBank: - | ChEMBL: CHEMBL3785583 | |
| Canonical SMILES: N#Cc1cnn2c1[nH]c(c1cnn(c1)C(C)(C)C)c(c2=O)C(C)C | ||
| Standard InChI: InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3 | ||
| Molecular Formula: C17H20N6O | Mol. Weight: 324.3803 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 2.63618 |
| HBD: 1 | HBA: 6 | TPSA: 91.77 |
| #Bonds: 27 | #Rotatable Bonds: 3 | Shape Complexity: 0.4375 |
| Stereocomplexity: 0.0 | ||