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Ligand Download |
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| Ligand Name: 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine | ||
| HET ID: FJV | PubChem: 1071983 | |
| DrugBank: - | ChEMBL: CHEMBL3980115 | |
| Canonical SMILES: N1CCN(CC1)c1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1 | ||
| Standard InChI: InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2 | ||
| Molecular Formula: C20H25N7OS | Mol. Weight: 411.5238 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: False | logP: 2.2183 |
| HBD: 1 | HBA: 9 | TPSA: 107.54 |
| #Bonds: 34 | #Rotatable Bonds: 2 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.0 | ||