 |
| Ligand Name:
6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| HET ID: NF6 |
PubChem:
86223064
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1nnc(s1)CNCCn1c(=O)c2cccc3c2c(c1=O)ccc3N(C)C |
| Standard InChI: InChI=1S/C20H21N5O2S/c1-12-22-23-17(28-12)11-21-9-10-25-19(26)14-6-4-5-13-16(24(2)3)8-7-15(18(13)14)20(25)27/h4-8,21H,9-11H2,1-3H3 |
| Molecular Formula: C20H21N5O2S |
Mol. Weight: 395.47803 |
Heavy Atoms: 28 |
| Charge: 0 |
Is Chiral: False |
logP: 2.3593 |
| HBD: 1 |
HBA: 8 |
TPSA: 108.36 |
| #Bonds: 31 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.3 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |