canSAR1087276
FEATURES
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NAMES
    SMILES
    COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN
    InChI
    InChI=1S/C20H23ClFN5O2/c1-28-18-11-17-14(10-19(18)29-8-2-6-24-7-5-23)20(26-12-25-17)27-13-3-4-16(22)15(21)9-13/h3-4,9-12,24H,2,5-8,23H2,1H3,(H,25,26,27)
    MOLECULAR FORMULA
    C20H23ClFN5O2
    CROSS REFERENCES
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    canSAR1087276
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight419.15
    AlogP3.49
    HBond donors4
    HBond acceptors7
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087276.