| PDB CCD ID: | 3OK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H20 N4 O4 |
| InChI: | InChI=1S/C18H20N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-24H,5-8,19-20H2 |
| InChIKey: | CLVFWRBVFBUDQU-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN | | ACDLabs 12.01 | O=C2c1c(c(NCCN)ccc1NCCN)C(=O)c3c2c(O)ccc3O | | CACTVS 3.385 | NCCNc1ccc(NCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
|
| Name: | 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione |
| ChEMBL: | CHEMBL1979181 |
| ZINC: | ZINC000005117117 |
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