adomeglivant Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

555.64

ALogP

7.94

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(cc2)C(=O)NCCC(=O)O)cc(C)c1c3ccc(cc3)C(C)(C)C
  • InChIKey: FASLTMSUPQDLIB-MHZLTWQESA-N
    InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707351   ChEMBL
adomeglivant

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