EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H26ClF2N7O2 |
| Net Charge | 0 |
| Average Mass | 529.979 |
| Monoisotopic Mass | 529.18046 |
| SMILES | Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(O[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)nn1 |
| InChI | InChI=1S/C25H26ClF2N7O2/c1-14-8-21(33-32-14)29-20-10-22(35-12-25(28,13-35)15-2-3-15)31-24(30-20)37-17-6-7-34(11-17)23(36)18-9-16(26)4-5-19(18)27/h4-5,8-10,15,17H,2-3,6-7,11-13H2,1H3,(H2,29,30,31,32,33)/t17-/m0/s1 |
| InChIKey | SLUHYAXFRJQTGB-KRWDZBQOSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mk-6592 (CHEBI:755606) has role antineoplastic agent (CHEBI:35610) |
| mk-6592 (CHEBI:755606) is a carbonyl compound (CHEBI:36586) |
| mk-6592 (CHEBI:755606) is a organohalogen compound (CHEBI:17792) |
| Synonyms | Source |
|---|---|
| Mk-6592 | ChEMBL |
| VX-667 | ChEMBL |