PDB CCD ID: | KKQ |
Number of entries in BioLiP: | 4 |
Chemical formula: | C25 H22 Br F N4 O |
InChI: | InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2 |
InChIKey: | NABAWQRCDXXOMF-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Fc1ccccc1C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Br)cc5 | OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F |
|
Name: | [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone |
ChEMBL: | CHEMBL5189300 |