EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H24FN3O3S |
| Net Charge | 0 |
| Average Mass | 477.561 |
| Monoisotopic Mass | 477.15224 |
| SMILES | CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H]1CO |
| InChI | InChI=1S/C26H24FN3O3S/c1-29-23-11-10-18(8-9-19-5-4-13-28-16-19)15-21(23)26-20(24(29)17-31)12-14-30(26)34(32,33)25-7-3-2-6-22(25)27/h2-7,10-11,13,15-16,20,24,26,31H,12,14,17H2,1H3/t20-,24+,26-/m1/s1 |
| InChIKey | MGGTXCHPOZATJI-UGIARPQZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(3aR,4R,9bR)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:128938) is a pyrroloquinoline (CHEBI:50918) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40490 | LINCS |