EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H24FN7O |
| Net Charge | 0 |
| Average Mass | 505.557 |
| Monoisotopic Mass | 505.20264 |
| SMILES | CC(C)CC(=O)Nc1cncc(-c2ccc3nnc(-c4nc5cncc(-c6cccc(F)c6)c5n4)c3c2)c1 |
| InChI | InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37) |
| InChIKey | AQDWDWAYVBQMAM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lorecivivint (CHEBI:747481) is a organic molecular entity (CHEBI:50860) |
| Manual Xrefs | Databases |
|---|---|
| D11588 | KEGG DRUG |