EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H34N4O2 |
| Net Charge | 0 |
| Average Mass | 470.617 |
| Monoisotopic Mass | 470.26818 |
| 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(OC([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c1[H] |
| InChI | InChI=1S/C29H34N4O2/c1-20-28-15-23(10-11-29(28)33-32-20)24-14-27(17-31-16-24)35-19-25(30)12-22-8-5-9-26(13-22)34-18-21-6-3-2-4-7-21/h5,8-11,13-17,21,25H,2-4,6-7,12,18-19,30H2,1H3,(H,32,33)/t25-/m0/s1 |
| InChIKey | MFYOLTIJRSXVBH-VWLOTQADSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine (CHEBI:45755) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2S)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine | PDBeChem |
| (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| SS5 | PDBeChem |