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| Ligand ID | U3I |
| InChI | InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19+/m1/s1 |
| InChIKey | FVZCFUKXGUUDBQ-ZMYBRWDISA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCN1CCCCC1C(C)Oc2ccc3c(c2)CN(C3=O)C4CCC(=O)NC4=O | | CACTVS 3.385 | CCN1CCCC[CH]1[CH](C)Oc2ccc3C(=O)N(Cc3c2)[CH]4CCC(=O)NC4=O | | CACTVS 3.385 | CCN1CCCC[C@@H]1[C@@H](C)Oc2ccc3C(=O)N(Cc3c2)[C@H]4CCC(=O)NC4=O | | ACDLabs 12.01 | CCN1CCCCC1C(C)Oc1cc2CN(C3CCC(=O)NC3=O)C(=O)c2cc1 | | OpenEye OEToolkits 2.0.7 | CCN1CCCC[C@@H]1[C@@H](C)Oc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O |
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| Formula | C22 H29 N3 O4 |
| Name | (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8tzx Chain A Residue 502
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[View ligand structure]
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