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Chemistry

Mol. Mass

543.62

ALogP

5.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F
  • InChIKey: ZHJGWYRLJUCMRT-QGZVFWFLSA-N
    InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1908394   ChEMBL
gsk-461364

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