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canSAR1154438
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NAMES
    SMILES
    Cc1ccccc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
    InChI
    InChI=1S/C20H22F3N3O/c1-13-6-4-5-7-15(13)18(2,3)11-19(27,20(21,22)23)9-14-8-16-17(26-14)10-24-12-25-16/h4-8,10,12,26-27H,9,11H2,1-3H3
    MOLECULAR FORMULA
    C20H22F3N3O
    CROSS REFERENCES
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    canSAR1154438

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.17
    AlogP 4.47
    HBond donors 2
    HBond acceptors 4
    Atoms 49
    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 canSAR1154438.