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canSAR66962
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NAMES
    SMILES
    CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncnc2cc(C(=O)O)ccc12
    InChI
    InChI=1S/C27H25N7O2/c1-2-3-14-34(26-23-13-12-20(27(35)36)15-24(23)28-17-29-26)16-18-8-10-19(11-9-18)21-6-4-5-7-22(21)25-30-32-33-31-25/h4-13,15,17H,2-3,14,16H2,1H3,(H,35,36)(H,30,31,32,33)
    MOLECULAR FORMULA
    C27H25N7O2
    CROSS REFERENCES
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    canSAR66962

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.21
    AlogP 4.98
    HBond donors 2
    HBond acceptors 9
    Atoms 61
    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 canSAR66962.