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Ligand Download |
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| 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 | ||