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canSAR1533973
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NAMES
    SMILES
    CCc1nn(Cc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)c(CC)c1CC(=O)O
    InChI
    InChI=1S/C26H26N4O3/c1-3-21-20(15-25(31)32)23(4-2)30(29-21)16-17-9-11-19(12-10-17)26(33)28-24-14-13-18-7-5-6-8-22(18)27-24/h5-14H,3-4,15-16H2,1-2H3,(H,31,32)(H,27,28,33)
    MOLECULAR FORMULA
    C26H26N4O3
    CROSS REFERENCES
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    canSAR1533973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.20
    AlogP 4.48
    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 canSAR1533973.