| PDB CCD ID: | I9N |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C18 H16 N2 O6 S |
| InChI: | InChI=1S/C18H16N2O6S/c21-15-10-3-1-2-4-11(10)16(22)14-12(15)9-13(17(23)18(14)24)27(25,26)20-7-5-19-6-8-20/h1-4,9,19,23-24H,5-8H2 |
| InChIKey: | LUICJQQAUHLELI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1[S](=O)(=O)N4CCNCC4 | | ACDLabs 12.01 | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCNCC1 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4 |
|
| Name: | 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione |
| ChEMBL: | CHEMBL5204170 |
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