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canSAR845258
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NAMES
    SMILES
    C[C@]12CN(c3ncccn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12
    InChI
    InChI=1S/C22H18F3N5O3/c1-20-10-29(19-27-6-3-7-28-19)11-21(2,33-20)16-15(20)17(31)30(18(16)32)13-5-4-12(9-26)14(8-13)22(23,24)25/h3-8,15-16H,10-11H2,1-2H3/t15-,16+,20-,21+
    MOLECULAR FORMULA
    C22H18F3N5O3
    CROSS REFERENCES
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    canSAR845258

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.14
    AlogP 2.54
    HBond donors 0
    HBond acceptors 8
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR845258.