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Chemistry

Mol. Mass

409.43

ALogP

1.86

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCN1Cc2c(ccc(F)c2C#N)O[C@@H](C)CNC(=O)c2c(N)nn3ccc1nc23
  • InChIKey: UUDPUQDMSHQSKH-NSHDSACASA-N
    InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095061   ChEMBL
elzovantinib

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