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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

503.52

ALogP

4.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2
  • InChIKey: KNPYQCPWTWANOG-RUZDIDTESA-N
    InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3673096   ChEMBL
jtt-251

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