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Small molecule Experimental
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Chemistry

Mol. Mass

458.37

ALogP

2.98

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc21)c1ccc(OC(F)(F)F)c(F)c1
  • InChIKey: AWJSRXUQLSPAOI-CQSZACIVSA-N
    InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4060569   ChEMBL
tak-915

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