EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C26H30F3N3O3 |
| Net Charge | 0 |
| Average Mass | 489.538 |
| Monoisotopic Mass | 489.22393 |
| SMILES | C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)C1 |
| InChI | InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1 |
| InChIKey | RNMAUIMMNAHKQR-QFBILLFUSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bay1436032 (CHEBI:756632) has role antineoplastic agent (CHEBI:35610) |
| bay1436032 (CHEBI:756632) is a benzimidazoles (CHEBI:22715) |
| Synonym | Source |
|---|---|
| Bay1436032 | ChEMBL |
| Citations |
|---|