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canSAR1690525
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NAMES
    SMILES
    Cc1ccc(C(=O)NC2CCCCC2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12
    InChI
    InChI=1S/C25H31N7O/c1-17-10-11-18(24(33)29-19-8-4-2-5-9-19)14-20(17)30-23-22-21(27-16-28-23)15-26-25(31-22)32-12-6-3-7-13-32/h10-11,14-16,19H,2-9,12-13H2,1H3,(H,29,33)(H,27,28,30)
    MOLECULAR FORMULA
    C25H31N7O
    CROSS REFERENCES
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    canSAR1690525

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.26
    AlogP 4.52
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    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 canSAR1690525.