EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H17F2N3S |
| Net Charge | 0 |
| Average Mass | 333.407 |
| Monoisotopic Mass | 333.11112 |
| SMILES | CC(Cc1ccsc1)NCc1cnnc1-c1ccc(F)cc1F |
| InChI | InChI=1S/C17H17F2N3S/c1-11(6-12-4-5-23-10-12)20-8-13-9-21-22-17(13)15-3-2-14(18)7-16(15)19/h2-5,7,9-11,20H,6,8H2,1H3,(H,21,22) |
| InChIKey | HKNRDWJKYQBZDD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine (CHEBI:105855) is a pyrazoles (CHEBI:26410) |
| N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine (CHEBI:105855) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17216 | LINCS |