EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17ClFN5S |
| Net Charge | 0 |
| Average Mass | 401.898 |
| Monoisotopic Mass | 401.08772 |
| SMILES | N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F |
| InChI | InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25) |
| InChIKey | IENZFHBNCRQMNP-UHFFFAOYSA-N |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| prx-08066 free base (CHEBI:748920) is a piperidines (CHEBI:26151) |
| Citations |
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