| PDB CCD ID: | 20P |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H14 N2 O |
| InChI: | InChI=1S/C15H14N2O/c18-15(17-12-6-8-16-9-7-12)14-10-13(14)11-4-2-1-3-5-11/h1-9,13-14H,10H2,(H,16,17,18)/t13-,14+/m1/s1 |
| InChIKey: | NOMFGVQIYPJHNJ-KGLIPLIRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C(Nc1ccncc1)[CH]2C[CH]2c3ccccc3 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3 | | ACDLabs 12.01 | O=C(Nc1ccncc1)C3CC3c2ccccc2 | | CACTVS 3.385 | O=C(Nc1ccncc1)[C@H]2C[C@@H]2c3ccccc3 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C2CC2C(=O)Nc3ccncc3 |
|
| Name: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide |
| ZINC: | ZINC000000461489 |
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