aneb-001 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

440.89

ALogP

5.66

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
  • InChIKey: BNLYOVHLLDBOFZ-LJQANCHMSA-N
    InChI=1S/C22H24ClF3N2O2/c1-21(2,3)27-20(29)28-12-16(13-28)30-19(14-8-10-15(23)11-9-14)17-6-4-5-7-18(17)22(24,25)26/h4-11,16,19H,12-13H2,1-3H3,(H,27,29)/t19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095165   ChEMBL
aneb-001

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