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Chemistry

Mol. Mass

572.34

ALogP

3.48

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1
  • InChIKey: RDSACQWTXKSHJT-NSHDSACASA-N
    InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1236682   ChEMBL
refametinib *

CHEMBL2138601   ChEMBL

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