EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H26N4O2S |
| Net Charge | 0 |
| Average Mass | 446.576 |
| Monoisotopic Mass | 446.17765 |
| SMILES | Cc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5c(C)c(C)sc5nc34)CC2)c1C |
| InChI | InChI=1S/C25H26N4O2S/c1-15-7-5-9-20(16(15)2)27-11-13-28(14-12-27)24(30)19-8-6-10-29-22(19)26-23-21(25(29)31)17(3)18(4)32-23/h5-10H,11-14H2,1-4H3 |
| InChIKey | IZABGOMGYXOPTG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17022 (CHEBI:105659) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17022 | LINCS |