| PDB CCD ID: | 9F4 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H16 F N3 O2 |
| InChI: | InChI=1S/C20H16FN3O2/c21-15-10-22-19(23-11-15)14-8-6-13(7-9-14)17-16(18(17)20(25)24-26)12-4-2-1-3-5-12/h1-11,16-18,26H,(H,24,25)/t16-,17-,18-/m1/s1 |
| InChIKey: | QHCRWOYXPXJUJS-KZNAEPCWSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | ONC(=O)[CH]1[CH]([CH]1c2ccc(cc2)c3ncc(F)cn3)c4ccccc4 | | ACDLabs 12.01 | O=C(NO)C4C(c1ccccc1)C4c3ccc(c2ncc(F)cn2)cc3 | | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)C2C(C2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F | | OpenEye OEToolkits 1.9.2 | c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F | | CACTVS 3.385 | ONC(=O)[C@@H]1[C@@H]([C@H]1c2ccc(cc2)c3ncc(F)cn3)c4ccccc4 |
|
| Name: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide |
| ChEMBL: | CHEMBL3110015 |
| ZINC: | ZINC000095920826 |
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