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Chemistry

Mol. Mass

534.54

ALogP

4.38

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1
  • InChIKey: BMMXYEBLEBULND-UHFFFAOYSA-N
    InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3218578   ChEMBL
bgt-226 *

CHEMBL3545096   ChEMBL
bgt-226

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