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Small molecule Experimental

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Chemistry

Mol. Mass

491.56

ALogP

5.06

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
  • InChIKey: OEDSFMUSNZDJFD-UHFFFAOYSA-N
    InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297454   ChEMBL
abbv-744

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