| PDB CCD ID: | MIQ |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C17 H17 N3 O5 |
| InChI: | InChI=1S/C17H17N3O5/c21-14-4-3-13(15(22)18-14)20-16(23)11-2-1-10(9-12(11)17(20)24)19-5-7-25-8-6-19/h1-2,9,13H,3-8H2,(H,18,21,22)/t13-/m0/s1 |
| InChIKey: | CCCSRHUSXCBFJZ-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c(cc1N3CCOCC3)C(=O)N(C2=O)C4CCC(=O)NC4=O | | ACDLabs 12.01 | O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=O)N1CCOCC1 | | OpenEye OEToolkits 2.0.7 | c1cc2c(cc1N3CCOCC3)C(=O)N(C2=O)[C@H]4CCC(=O)NC4=O | | CACTVS 3.385 | O=C1CC[CH](N2C(=O)c3ccc(cc3C2=O)N4CCOCC4)C(=O)N1 | | CACTVS 3.385 | O=C1CC[C@H](N2C(=O)c3ccc(cc3C2=O)N4CCOCC4)C(=O)N1 |
|
| Name: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione |
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