| PDB CCD ID: | F4U |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H10 N2 O5 |
| InChI: | InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1 |
| InChIKey: | LJBQRRQTZUJWRC-VIFPVBQESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O | | OpenEye OEToolkits 2.0.7 | c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O | | CACTVS 3.385 | Oc1ccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c2c1 | | CACTVS 3.385 | Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1 |
|
| Name: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione |
| ChEMBL: | CHEMBL560448 |
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