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Ligand Download |
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| 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 | ||