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Chemistry

Mol. Mass

631.6

ALogP

5.54

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cccc(C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[C@H](NCCCC(=O)O)c4ccccc4)C2=O)c1F
  • InChIKey: HEAUOKZIVMZVQL-VWLOTQADSA-N
    InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1208155   ChEMBL
elagolix *

CHEMBL502182   ChEMBL
elagolix sodium

5B2546MB5Z   NCATS
elagolix *

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