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| Ligand Name: 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB786 |
PubChem:
10024412
|
Synonym(s):
- aminoquinoline 27
- chembl108696
- bdbm10503
- 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethan-1-one
- 3'-(2-methyl-4-amino-5-fluoroquinoline-3-ylmethylthiomethyl)-alpha,alpha,alpha-trifluoroacetophenone"]
show 4 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL108696 |
| Canonical SMILES: Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F |
| Standard InChI: InChI=1S/C20H16F4N2OS/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26) |
| Molecular Formula: C20H16F4N2OS |
Mol. Weight: 408.09195 |
logP: 5.44292 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 5 | TPSA: 55.98 |