EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H6O3S.C26H29N5O2 |
| Net Charge | 0 |
| Average Mass | 601.729 |
| Monoisotopic Mass | 601.23589 |
| SMILES | CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1.O=S(=O)(O)c1ccccc1 |
| InChI | InChI=1S/C26H29N5O2.C6H6O3S/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30;7-10(8,9)6-4-2-1-3-5-6/h2-8,13,17,19H,9-12,14-16,27H2,1H3;1-5H,(H,7,8,9) |
| InChIKey | ARQUTWAXTHJROR-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) |
| crenolanib besylate (CHEBI:754783) has role antineoplastic agent (CHEBI:35610) |
| crenolanib besylate (CHEBI:754783) is a aminoquinoline (CHEBI:36709) |
| Synonyms | Source |
|---|---|
| 596-26 | ChEMBL |
| ARO-002-26 | ChEMBL |
| CP-868 | ChEMBL |
| CP-868,596-26 | ChEMBL |
| CP-868596-26 | ChEMBL |
| Crenolanib besilate | ChEMBL |