PDB CCD ID: | IW6 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H15 Br2 N O2 |
InChI: | InChI=1S/C16H15Br2NO2/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-9H,19H2,1-2H3/b7-6+ |
InChIKey: | HGWBUXCGPMRHAS-VOTSOKGWSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.0 | COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC | ACDLabs 11.02 | Brc1cc(cc(Br)c1N)\C=C\c2c(OC)cccc2OC | OpenEye OEToolkits 1.7.0 | COc1cccc(c1C=Cc2cc(c(c(c2)Br)N)Br)OC | CACTVS 3.352 | COc1cccc(OC)c1\C=C\c2cc(Br)c(N)c(Br)c2 | CACTVS 3.352 | COc1cccc(OC)c1C=Cc2cc(Br)c(N)c(Br)c2 |
|
Name: | 2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline |
ChEMBL: | CHEMBL1233695 |
ZINC: | ZINC000058649614 |