EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N4O |
| Net Charge | 0 |
| Average Mass | 358.445 |
| Monoisotopic Mass | 358.17936 |
| SMILES | [H]c1nc([H])c(-c2c([H])c([H])c3c(c(C([H])([H])[H])nn3[H])c2[H])c([H])c1OC([H])([H])[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| InChI | InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1 |
| InChIKey | BPNUQXPIQBZCMR-IBGZPJMESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S)-1-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine (CHEBI:45751) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2S)-1-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine | PDBeChem |
| (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| SS3 | PDBeChem |