EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:755567 - rociletinib
| Formula | C27H28F3N7O3 |
| Net Charge | 0 |
| Average Mass | 555.561 |
| Monoisotopic Mass | 555.22057 |
| SMILES | C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1 |
| InChI | InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35) |
| InChIKey | HUFOZJXAKZVRNJ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rociletinib (CHEBI:755567) has role antineoplastic agent (CHEBI:35610) |
| rociletinib (CHEBI:755567) is a piperazines (CHEBI:26144) |
| Synonyms | Source |
|---|---|
| AVL-301 | ChEMBL |
| CNX-419 | ChEMBL |
| CO-1686 | ChEMBL |
| CS-1631 | ChEMBL |
| Rociletinib | ChEMBL |
| Citations |
|---|