| PDB CCD ID: | DUI |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H11 N3 O4 |
| InChI: | InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m1/s1 |
| InChIKey: | UVSMNLNDYGZFPF-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1NC(=O)CCC1N1C(=O)c2cccc(N)c2C1=O | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)N)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O | | CACTVS 3.385 | Nc1cccc2C(=O)N([C@@H]3CCC(=O)NC3=O)C(=O)c12 | | CACTVS 3.385 | Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12 | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O |
|
| Name: | 4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
| ChEMBL: | CHEMBL1788309 |
| ZINC: | ZINC000001997125 |
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