PDB CCD ID: | 058 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C22 H15 Cl F N O2 |
InChI: | InChI=1S/C22H15ClFNO2/c23-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)24)21(22(26)27)25(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,26,27) |
InChIKey: | IOOYKINARCKSEF-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1c4ccccc4F | ACDLabs 12.01 | Fc4ccccc4c2c1cc(Cl)ccc1n(c2C(=O)O)Cc3ccccc3 | OpenEye OEToolkits 1.7.2 | c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl |
|
Name: | 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid |
ChEMBL: | CHEMBL1825211 |
ZINC: | ZINC000072183032 |