EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21ClN4O |
| Net Charge | 0 |
| Average Mass | 368.868 |
| Monoisotopic Mass | 368.14039 |
| SMILES | OC1CCCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCC3)C1 |
| InChI | InChI=1S/C20H21ClN4O/c21-14-5-1-4-13(10-14)18-11-19-22-17-8-2-7-16(17)20(25(19)23-18)24-9-3-6-15(26)12-24/h1,4-5,10-11,15,26H,2-3,6-9,12H2 |
| InChIKey | DXXJMHKBQYKSBP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-34623 (CHEBI:123181) is a pyrazoles (CHEBI:26410) |
| LSM-34623 (CHEBI:123181) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34623 | LINCS |