| PDB CCD ID: | 29X |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H19 F N2 O2 |
| InChI: | InChI=1S/C20H19FN2O2/c21-16-3-1-13(2-4-16)18-7-8-22-10-15(18)12-25-17-5-6-19-14(9-17)11-23-20(19)24/h1-6,9,11,15,18,22H,7-8,10,12H2/t15-,18-/m0/s1 |
| InChIKey: | SVALMNHLKNCREX-YJBOKZPZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4C(=O)N=Cc4c3 | | OpenEye OEToolkits 1.7.6 | c1cc(ccc1C2CCNCC2COc3ccc4c(c3)C=NC4=O)F | | OpenEye OEToolkits 1.7.6 | c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F | | CACTVS 3.385 | Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4C(=O)N=Cc4c3 | | ACDLabs 12.01 | Fc1ccc(cc1)C4CCNCC4COc3cc2C=NC(=O)c2cc3 |
|
| Name: | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1H-isoindol-1-one |
| ZINC: | ZINC000095920726 |
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