PDB CCD ID: | 034 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C28 H22 Cl2 N2 O4 |
InChI: | InChI=1S/C28H22Cl2N2O4/c1-15(2)27-20(26(32-36-27)25-21(29)4-3-5-22(25)30)14-35-19-9-6-16(7-10-19)17-8-11-23-18(12-17)13-24(31-23)28(33)34/h3-13,15,31H,14H2,1-2H3,(H,33,34) |
InChIKey: | RYEIPXVNZXWZFN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.2 | CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O | ACDLabs 12.01 | O=C(O)c2nc1ccc(cc1c2)c5ccc(OCc4c(onc4c3c(Cl)cccc3Cl)C(C)C)cc5 | CACTVS 3.370 | CC(C)c1onc(c1COc2ccc(cc2)c3ccc4[nH]c(cc4c3)C(O)=O)c5c(Cl)cccc5Cl |
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Name: | 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid |
ChEMBL: | CHEMBL1835049 |
ZINC: | ZINC000072125913 |