EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H28N6O2 |
| Net Charge | 0 |
| Average Mass | 444.539 |
| Monoisotopic Mass | 444.22737 |
| SMILES | O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCCN1CCN(c2ccccc2)CC1 |
| InChI | InChI=1S/C25H28N6O2/c32-23(19-31-24-21(9-4-11-27-24)30-14-5-10-22(30)25(31)33)26-12-6-13-28-15-17-29(18-16-28)20-7-2-1-3-8-20/h1-5,7-11,14H,6,12-13,15-19H2,(H,26,32) |
| InChIKey | KMARMZLDSPVBTN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3918 (CHEBI:93497) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3918 | LINCS |