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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

586.86

ALogP

6.56

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1
  • InChIKey: KZSKGLFYQAYZCO-UHFFFAOYSA-N
    InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297613   ChEMBL
cilofexor

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