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canSAR171845
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NAMES
    SMILES
    Cc1ccc(F)cc1C[C@H](N)COc1cncc(-c2cc3c(C)n[nH]c3cn2)c1
    InChI
    InChI=1S/C22H22FN5O/c1-13-3-4-17(23)5-15(13)6-18(24)12-29-19-7-16(9-25-10-19)21-8-20-14(2)27-28-22(20)11-26-21/h3-5,7-11,18H,6,12,24H2,1-2H3,(H,27,28)/t18-/m0/s1
    MOLECULAR FORMULA
    C22H22FN5O
    CROSS REFERENCES
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    canSAR171845

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.18
    AlogP 3.72
    HBond donors 3
    HBond acceptors 6
    Atoms 51
    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 canSAR171845.