PDB CCD ID: | GO0 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C11 H7 Cl2 N O4 |
InChI: | InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18) |
InChIKey: | GQXFZEWSJBOLCT-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl | CACTVS 3.370 | OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O | ACDLabs 12.01 | O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O |
|
Name: | 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid |
ZINC: | ZINC000058633010 |