 |
| 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 |
Ligand Type: Small Molecule |