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canSAR201800
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NAMES
    SMILES
    COc1ccc(-c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)cc1
    InChI
    InChI=1S/C25H21N7O2/c1-33-19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-13-31-23-20(15-27-31)24-28-22(21-3-2-14-34-21)30-32(24)25(26)29-23/h2-11,14-15H,12-13H2,1H3,(H2,26,29)
    MOLECULAR FORMULA
    C25H21N7O2
    CROSS REFERENCES
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    canSAR201800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.18
    AlogP 4.23
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    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 canSAR201800.