dpoc-4088 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

452.82

ALogP

2.35

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ncccc1F
  • InChIKey: AATHXZYXWMKUFC-UHFFFAOYSA-N
    InChI=1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL30054   ChEMBL
dpoc-4088

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