| PDB CCD ID: | QVY |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C15 H16 N2 O2 |
| InChI: | InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1 |
| InChIKey: | WENBZVXOQQBSHR-BPLDGKMQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)-c3cncn3C2C4CCOCC4O | | CACTVS 3.385 | O[CH]1COCC[CH]1[CH]2n3cncc3c4ccccc24 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O | | ACDLabs 12.01 | c23C(C1C(COCC1)O)n4c(c2cccc3)cnc4 | | CACTVS 3.385 | O[C@@H]1COCC[C@H]1[C@@H]2n3cncc3c4ccccc24 |
|
| Name: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol |
| ChEMBL: | CHEMBL4548068 |
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