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canSAR1635704
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NAMES
    SMILES
    CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)nc(O)n4Cc3ccc(OC)cc3)cc2)CC1
    InChI
    InChI=1S/C28H31N5O3/c1-3-31-14-16-32(17-15-31)23-9-7-22(8-10-23)29-27(34)21-6-13-26-25(18-21)30-28(35)33(26)19-20-4-11-24(36-2)12-5-20/h4-13,18H,3,14-17,19H2,1-2H3,(H,29,34)(H,30,35)
    MOLECULAR FORMULA
    C28H31N5O3
    CROSS REFERENCES
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    canSAR1635704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.24
    AlogP 4.19
    HBond donors 2
    HBond acceptors 8
    Atoms 67
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1635704.