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Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

557.02

ALogP

6.76

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
  • InChIKey: OJICYBSWSZGRFB-UHFFFAOYSA-N
    InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3298910   ChEMBL
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