PDB CCD ID: | SC4 |
Number of entries in BioLiP: | 3 |
Chemical formula: | C21 H17 Cl3 O3 |
InChI: | InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3 |
InChIKey: | XXMDDBVNWRWNCW-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl | ACDLabs 10.04 | Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl | CACTVS 3.341 | COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1 |
|
Name: | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE |
ChEMBL: | CHEMBL1235858 |
DrugBank: | DB17736 |
ZINC: | ZINC000001891911 |