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Ligand Download |
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| Ligand Name: 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole | ||
| HET ID: EHQ | PubChem: 95857692 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Cc1onc(c1c1n[nH]cc1c1ccncc1)C | ||
| Standard InChI: InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16) | ||
| Molecular Formula: C13H12N4O | Mol. Weight: 240.26057 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 2.7435 |
| HBD: 1 | HBA: 4 | TPSA: 67.6 |
| #Bonds: 21 | #Rotatable Bonds: 2 | Shape Complexity: 0.15384616 |
| Stereocomplexity: 0.0 | ||