EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H22F2N4O4S |
| Net Charge | 0 |
| Average Mass | 488.516 |
| Monoisotopic Mass | 488.13298 |
| SMILES | COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC(F)F)c(OCC4CC4)c2)CS3)c1 |
| InChI | InChI=1S/C23H22F2N4O4S/c1-30-15-6-8-18(31-2)16(10-15)21-26-27-23-29(21)28-17(12-34-23)14-5-7-19(33-22(24)25)20(9-14)32-11-13-3-4-13/h5-10,13,22H,3-4,11-12H2,1-2H3 |
| InChIKey | RYEJSNBHBPXFLF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CHEBI:92964) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3227 | LINCS |