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canSAR2003679
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NAMES
    SMILES
    COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3CN(C)C)c2c1
    InChI
    InChI=1S/C24H27N5O/c1-29(2)15-18-6-4-5-7-20(18)22-14-25-16-28-24(22)26-11-10-17-13-27-23-9-8-19(30-3)12-21(17)23/h4-9,12-14,16,27H,10-11,15H2,1-3H3,(H,25,26,28)
    MOLECULAR FORMULA
    C24H27N5O
    CROSS REFERENCES
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    canSAR2003679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.22
    AlogP 4.35
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR2003679.