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CHEBI:101189 - (2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile
| Formula | C24H22N2O3 |
| Net Charge | 0 |
| Average Mass | 386.451 |
| Monoisotopic Mass | 386.16304 |
| SMILES | COc1ccccc1C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 |
| InChI | InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21-,23+/m0/s1 |
| InChIKey | VFHDDKSZNLSDOB-QNWVGRARSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:101189) is a azetidines (CHEBI:38777) |
| (2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:101189) is a benzenes (CHEBI:22712) |
| (2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:101189) is a ring assembly (CHEBI:36820) |
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| LSM-12558 | LINCS |