abt-925 Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

456.54

ALogP

3.59

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(C)c1nc(N2CCN(CCCSc3nccc(O)n3)CC2)cc(C(F)(F)F)n1
  • InChIKey: KXVAICSRMHXLJN-UHFFFAOYSA-N
    InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL439338   ChEMBL
abt-925

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