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Small molecule Experimental
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Chemistry

Mol. Mass

439.47

ALogP

3.14

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
  • InChIKey: BBRMAVGRWHNAIG-FIBGUPNXSA-N
    InChI=1S/C22H21FN6O3/c1-24-22(31)15-11-25-18(29-21(30)12-6-7-12)8-17(15)28-16-5-3-4-14(19(16)32-2)20-26-9-13(23)10-27-20/h3-5,8-12H,6-7H2,1-2H3,(H,24,31)(H2,25,28,29,30)/i1D3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4789639   ChEMBL
bms-986202

CHEMBL4803710   ChEMBL
bms-986202

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