EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13ClN6 |
| Net Charge | 0 |
| Average Mass | 312.764 |
| Monoisotopic Mass | 312.08902 |
| SMILES | CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1 |
| InChI | InChI=1S/C15H13ClN6/c1-3-13-19-15-11-7-18-22(14(11)17-8-21(15)20-13)12-6-10(16)5-4-9(12)2/h4-8H,3H2,1-2H3 |
| InChIKey | WOSJPJAVCIJXAY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-28231 (CHEBI:116779) is a pyrazoles (CHEBI:26410) |
| LSM-28231 (CHEBI:116779) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28231 | LINCS |