EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:47189 - 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
| Formula | C20H20ClN3O2 |
| Net Charge | 0 |
| Average Mass | 369.852 |
| Monoisotopic Mass | 369.12440 |
| SMILES | [H]c1c([H])c(OC2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([O-])c(-c2c([H])c3c([H])c(C(N([H])[H])=[N+]([H])[H])c(Cl)c([H])c3n2[H])c1[H] |
| InChI | InChI=1S/C20H20ClN3O2/c21-15-10-16-11(8-14(15)20(22)23)9-17(24-16)13-6-3-7-18(19(13)25)26-12-4-1-2-5-12/h3,6-10,12,24-25H,1-2,4-5H2,(H3,22,23) |
| InChIKey | QXAURVOBXQBPAP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE (CHEBI:47189) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | PDBeChem |
| 2-{5-[amino(iminio)methyl]-6-chloro-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 991 | PDBeChem |