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Ligand Download |
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| Ligand Name: N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine | ||
| HET ID: 73K | PubChem: 123132228 | |
| DrugBank: - | ChEMBL: CHEMBL4065484 | |
| Canonical SMILES: CS(=O)(=O)c1ccc(cc1)c1cnc(n2c1nnc2)NCc1ccco1 | ||
| Standard InChI: InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | ||
| Molecular Formula: C17H15N5O3S | Mol. Weight: 369.3977 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 3.5537 |
| HBD: 1 | HBA: 8 | TPSA: 110.77 |
| #Bonds: 29 | #Rotatable Bonds: 5 | Shape Complexity: 0.11764706 |
| Stereocomplexity: 0.0 | ||