PDB CCD ID: | 988 |
Number of entries in BioLiP: | 6 |
Chemical formula: | C21 H15 N3 O2 |
InChI: | InChI=1S/C21H15N3O2/c25-24(26)19-5-1-3-17(14-19)20-13-16(11-15-6-9-22-10-7-15)12-18-4-2-8-23-21(18)20/h1-10,12-14H,11H2 |
InChIKey: | XRSKAWJXBDACRF-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.352 | [O-][N+](=O)c1cccc(c1)c2cc(Cc3ccncc3)cc4cccnc24 | OpenEye OEToolkits 1.7.0 | c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4 | ACDLabs 11.02 | [O-][N+](=O)c1cccc(c1)c3cc(cc2cccnc23)Cc4ccncc4 |
|
Name: | 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline |
ChEMBL: | CHEMBL127944 |
ZINC: | ZINC000000006165 |