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CHEBI:45335 - N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide
| Formula | C33H38FN5O4 |
| Net Charge | 0 |
| Average Mass | 587.696 |
| Monoisotopic Mass | 587.29078 |
| SMILES | [H]Oc1c([H])c([H])c([C@]2([H])N([H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])c(F)c1C(=O)c1c([H])c([H])c(C(=O)N([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@@]2([H])N([H])C(=O)c2c([H])c([H])nc([H])c2[H])c([H])c1[H] |
| InChI | InChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30+/m1/s1 |
| InChIKey | LLDRWTNKJQFSDC-KQZWIPHESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45335) has functional parent isonicotinamide (CHEBI:6031) |
| N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45335) is a azepanes (CHEBI:46986) |
| N-[(3R,4R)-4-{[(4-{[5-(3,3-dimethylpiperidin-1-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}phenyl)carbonyl]amino}azepan-3-yl]isonicotinamide (CHEBI:45335) is a organofluorine compound (CHEBI:37143) |
| Synonyms | Source |
|---|---|
| N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE | PDBeChem |
| N-[(3R,4R)-4-({[4-({3-[(2R)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxyphenyl}carbonyl)phenyl]carbonyl}amino)azepan-3-yl]pyridine-4-carboxamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| R68 | PDBeChem |