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CHEBI:760468 - oritinib
| Formula | C31H37N7O2 |
| Net Charge | 0 |
| Average Mass | 539.684 |
| Monoisotopic Mass | 539.30087 |
| SMILES | C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CCCC4)n2)c(OC)cc1N(C)CCN(C)C |
| InChI | InChI=1S/C31H37N7O2/c1-6-29(39)33-23-19-24(28(40-5)20-27(23)37(4)18-17-36(2)3)35-31-32-15-14-22(34-31)30-21-11-7-8-12-25(21)38-16-10-9-13-26(30)38/h6-8,11-12,14-15,19-20H,1,9-10,13,16-18H2,2-5H3,(H,33,39)(H,32,34,35) |
| InChIKey | PLUKVDOZEJBBIS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oritinib (CHEBI:760468) has role antineoplastic agent (CHEBI:35610) |
| oritinib (CHEBI:760468) is a aromatic amide (CHEBI:62733) |
| oritinib (CHEBI:760468) is a aromatic amine (CHEBI:33860) |
| Synonyms | Source |
|---|---|
| Oritinib | ChEMBL |
| Sh-1028 | ChEMBL |