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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

451.48

ALogP

2.78

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
  • InChIKey: PXQATVYJKMMHAU-UHFFFAOYSA-N
    InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4456123   ChEMBL
bi 639667

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