EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H26F3N3O4 |
| Net Charge | 0 |
| Average Mass | 537.538 |
| Monoisotopic Mass | 537.18754 |
| SMILES | O=C(NCc1nc2ccccc2n1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 |
| InChI | InChI=1S/C29H26F3N3O4/c30-29(31,32)22-11-9-20(10-12-22)21-13-25(28(37)33-15-26-34-23-3-1-2-4-24(23)35-26)39-27(14-21)38-17-19-7-5-18(16-36)6-8-19/h1-13,21,27,36H,14-17H2,(H,33,37)(H,34,35)/t21-,27+/m0/s1 |
| InChIKey | BBIRKSILZBXBGJ-KDYSTLNUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (CHEBI:107303) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18657 | LINCS |