tak-441 Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

576.57

ALogP

2.44

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCc1cc2c(c(OCC(F)(F)F)c(C(=O)NC3CCN(C(=O)CO)CC3)n2C)c(=O)n1CC(=O)c1ccccc1
  • InChIKey: ZADWXQMNNVICKB-UHFFFAOYSA-N
    InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2205230   ChEMBL
tak-441

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