| PDB CCD ID: | U9E |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H17 Cl N2 O2 |
| InChI: | InChI=1S/C21H17ClN2O2/c1-2-12-18(15-6-3-4-8-16(15)22)20(21(25)26)24-19(12)14-7-5-9-17-13(14)10-11-23-17/h3-11,23-24H,2H2,1H3,(H,25,26) |
| InChIKey: | DUINDISWGSUWAX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34 | | OpenEye OEToolkits 2.0.7 | CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl |
|
| Name: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid |
| ChEMBL: | CHEMBL5094126 |
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