| PDB CCD ID: | F4N |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H14 Br N5 O4 S |
| InChI: | InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ |
| InChIKey: | QTHCAAFKVUWAFI-DJKKODMXSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(N=Cc1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O | | CACTVS 3.385 | CN(/N=C/c1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O | | OpenEye OEToolkits 2.0.6 | Cc1ccc(cc1S(=O)(=O)N(C)N=Cc2cnc3n2cc(cc3)Br)[N+](=O)[O-] | | OpenEye OEToolkits 2.0.6 | Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-] |
|
| Name: | ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide |
| ChEMBL: | CHEMBL393525 |
| DrugBank: | DB17047 |
| ZINC: | ZINC000028652818 |
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