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canSAR1618033
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NAMES
    SMILES
    CC1(C)c2cc(CNCC(F)(F)F)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
    InChI
    InChI=1S/C22H18F3N3O/c1-21(2)16-7-13(10-27-11-22(23,24)25)4-5-14(16)19(29)18-15-6-3-12(9-26)8-17(15)28-20(18)21/h3-8,27-28H,10-11H2,1-2H3
    MOLECULAR FORMULA
    C22H18F3N3O
    CROSS REFERENCES
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    canSAR1618033

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.14
    AlogP 4.56
    HBond donors 2
    HBond acceptors 4
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1618033.