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Small molecule Experimental
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Chemistry

Mol. Mass

515.53

ALogP

3.8

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
  • InChIKey: AUIFRJWXYUNPPV-QFIPXVFZSA-N
    InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3358954   ChEMBL
bi 653048

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