valemetostat (Ezharmia) Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

660.23

ALogP

4.49

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1.Cc1ccc(S(=O)(=O)O)cc1
  • InChIKey: JSBKGJUYSLVFPF-WJQUPPJOSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594405   ChEMBL
valemetostat tosylate

CHEMBL4597193   ChEMBL
valemetostat

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