 |
| Ligand Name:
2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| HET ID: NF1 |
PubChem:
86223063
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1nnc(s1)CNCCn1c(=O)c2cccc3c2c(c1=O)ccc3 |
| Standard InChI: InChI=1S/C18H16N4O2S/c1-11-20-21-15(25-11)10-19-8-9-22-17(23)13-6-2-4-12-5-3-7-14(16(12)13)18(22)24/h2-7,19H,8-10H2,1H3 |
| Molecular Formula: C18H16N4O2S |
Mol. Weight: 352.41025 |
Heavy Atoms: 25 |
| Charge: 0 |
Is Chiral: False |
logP: 2.2933 |
| HBD: 1 |
HBA: 7 |
TPSA: 105.12 |
| #Bonds: 28 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |