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canSAR1503217
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NAMES
    SMILES
    CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccccc1F.Cl
    InChI
    InChI=1S/C20H23BrFN5O2S.ClH/c1-3-28-18-11-14(12-23-8-9-30-20-24-25-26-27(20)2)10-16(21)19(18)29-13-15-6-4-5-7-17(15)22;/h4-7,10-11,23H,3,8-9,12-13H2,1-2H3;1H
    MOLECULAR FORMULA
    C20H24BrClFN5O2S
    CROSS REFERENCES
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    canSAR1503217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.05
    AlogP 4.39
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503217.