PDB CCD ID: | CRR |
Number of entries in BioLiP: | 3 |
Chemical formula: | C22 H15 N3 O4 |
InChI: | InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29) |
InChIKey: | FZDVNXHYGMEEDT-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5 | CACTVS 3.341 | OC(=O)c1[nH]c(C(O)=O)c(c2c[nH]c3ccccc23)c1c4c[nH]c5ccccc45 | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5 |
|
Name: | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID; CHROMOPYRROLIC ACID |
ChEMBL: | CHEMBL491841 |
DrugBank: | DB07588 |