Aticaprant Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

418.51

ALogP

5.67

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1
  • InChIKey: ZHPMYDSXGRRERG-DEOSSOPVSA-N
    InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1921847   ChEMBL
aticaprant

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