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canSAR50192
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NAMES
    SMILES
    COc1ccc(CCCc2c(N)ncnc2C#Cc2ccc(N3CCOCC3)nc2)cc1
    InChI
    InChI=1S/C25H27N5O2/c1-31-21-9-5-19(6-10-21)3-2-4-22-23(28-18-29-25(22)26)11-7-20-8-12-24(27-17-20)30-13-15-32-16-14-30/h5-6,8-10,12,17-18H,2-4,13-16H2,1H3,(H2,26,28,29)
    MOLECULAR FORMULA
    C25H27N5O2
    CROSS REFERENCES
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    canSAR50192

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.22
    AlogP 2.87
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    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 canSAR50192.