EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H17F2N3O2 |
| Net Charge | 0 |
| Average Mass | 381.382 |
| Monoisotopic Mass | 381.12888 |
| SMILES | CC1(C)c2nc3ccccc3c2C[C@@H]2C(=O)N(c3cc(F)ccc3F)C(=O)N21 |
| InChI | InChI=1S/C21H17F2N3O2/c1-21(2)18-13(12-5-3-4-6-15(12)24-18)10-17-19(27)25(20(28)26(17)21)16-9-11(22)7-8-14(16)23/h3-9,17,24H,10H2,1-2H3/t17-/m1/s1 |
| InChIKey | GIJJBPWORLUXCK-QGZVFWFLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3463 (CHEBI:93149) is a β-carbolines (CHEBI:60834) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3463 | LINCS |