rigosertib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

451.5

ALogP

2.8

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1
  • InChIKey: OWBFCJROIKNMGD-BQYQJAHWSA-N
    InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1241855   ChEMBL
rigosertib *

CHEMBL2013119   ChEMBL
rigosertib sodium

Rigosertib   Wikipedia

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