EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22ClN7 |
| Net Charge | 0 |
| Average Mass | 407.909 |
| Monoisotopic Mass | 407.16252 |
| SMILES | Clc1cccc(N2CCN(CCNc3nc4ccccc4n4cnnc34)CC2)c1 |
| InChI | InChI=1S/C21H22ClN7/c22-16-4-3-5-17(14-16)28-12-10-27(11-13-28)9-8-23-20-21-26-24-15-29(21)19-7-2-1-6-18(19)25-20/h1-7,14-15H,8-13H2,(H,23,25) |
| InChIKey | QRXATNXWXUVPJZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CHEBI:117271) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28720 | LINCS |