PDB CCD ID: | ZY7 |
Number of entries in BioLiP: | 10 |
Chemical formula: | C19 H20 N2 O2 |
InChI: | InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+ |
InChIKey: | RPYWXZCFYPVCNQ-RVDMUPIBSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.352 | COc1ccc(\C=C2/CCCN=C2c3cccnc3)c(OC)c1 | ACDLabs 10.04 | O(c1ccc(c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3)C | OpenEye OEToolkits 1.6.1 | COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 | OpenEye OEToolkits 1.6.1 | COc1ccc(c(c1)OC)C=C2CCCN=C2c3cccnc3 | CACTVS 3.352 | COc1ccc(C=C2CCCN=C2c3cccnc3)c(OC)c1 |
|
Name: | (3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE |
ChEMBL: | CHEMBL134713 |
DrugBank: | DB05708 |
ZINC: | ZINC000000000860 |