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| Ligand Name: 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB133 |
PubChem:
25226377
|
Synonym(s):
- chembl3092124
- schembl12665480
- bdbm50444436
- q27452958
- 1-[(2-chloro-3-quinolyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1h-pyridin-3-yl)indole-2-carboxylic acid
show 4 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL3092124 |
| Canonical SMILES: Cc1cc2c(c(C(O)=O)n(Cc3cc4ccccc4nc3Cl)c2cc1F)-c1ccc[nH]c1=O |
| Standard InChI: InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33) |
| Molecular Formula: C25H17ClFN3O3 |
Mol. Weight: 461.09424 |
logP: 5.39222 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 87.98 |