EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C7H8O3S.C26H34ClN3O4 |
| Net Charge | 0 |
| Average Mass | 660.233 |
| Monoisotopic Mass | 659.24320 |
| SMILES | Cc1ccc(S(=O)(=O)O)cc1.[H][C@]1([C@@]2(C)Oc3c(Cl)cc(C(=O)NCc4c(C)cc(C)nc4=O)c(C)c3O2)CC[C@H](N(C)C)CC1 |
| InChI | InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17-,18-,26-;/m1./s1 |
| InChIKey | JSBKGJUYSLVFPF-WJQUPPJOSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| valemetostat tosylate (CHEBI:757894) has role antineoplastic agent (CHEBI:35610) |
| valemetostat tosylate (CHEBI:757894) is a benzenesulfonates (CHEBI:53348) |
| Synonyms | Source |
|---|---|
| Valemetostat tosilate | ChEMBL |
| Valemetostat tosylate | ChEMBL |
| Citations |
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