PDB CCD ID: | IC1 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C18 H17 N O4 |
InChI: | InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+ |
InChIKey: | JBJYTZXCZDNOJW-JLHYYAGUSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | COc1cc(c(c(c1)OC)C=C2c3ccccc3NC2=O)OC | ACDLabs 10.04 | O=C2C(\c1ccccc1N2)=C\c3c(OC)cc(OC)cc3OC | OpenEye OEToolkits 1.5.0 | COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC | CACTVS 3.341 | COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc23)c(OC)c1 | CACTVS 3.341 | COc1cc(OC)c(C=C2C(=O)Nc3ccccc23)c(OC)c1 |
|
Name: | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE; IC261 |
ChEMBL: | CHEMBL489156 |
DrugBank: | DB03083 |
ZINC: | ZINC000000136945 |