| PDB CCD ID: | LJ0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 N2 O |
| InChI: | InChI=1S/C14H18N2O/c1-9-6-7-15-8-12(9)16-14(17)13-10-4-2-3-5-11(10)13/h6-8,10-11,13H,2-5H2,1H3,(H,16,17)/t10-,11+,13+ |
| InChIKey: | UPGQLXSOIHDKRZ-PJXYFTJBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccncc1NC(=O)C2[C@@H]3CCCC[C@H]23 | | OpenEye OEToolkits 2.0.7 | Cc1ccncc1NC(=O)C2[C@H]3[C@@H]2CCCC3 | | OpenEye OEToolkits 2.0.7 | Cc1ccncc1NC(=O)C2C3C2CCCC3 | | CACTVS 3.385 | Cc1ccncc1NC(=O)C2[CH]3CCCC[CH]23 | | ACDLabs 12.01 | O=C(Nc1cnccc1C)C1C2CCCCC21 |
|
| Name: | (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide |
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