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canSAR674171
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NAMES
    SMILES
    CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3cnccn3)cc2)n1
    InChI
    InChI=1S/C21H26N4/c1-4-21(2,3)13-18-14-24-20(25-18)10-7-16-5-8-17(9-6-16)19-15-22-11-12-23-19/h5-6,8-9,11-12,14-15H,4,7,10,13H2,1-3H3,(H,24,25)
    MOLECULAR FORMULA
    C21H26N4
    CROSS REFERENCES
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    canSAR674171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 334.22
    AlogP 4.63
    HBond donors 1
    HBond acceptors 4
    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 canSAR674171.