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canSAR1502247
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NAMES
    SMILES
    CCc1ccc(CNCc2c(C(=O)O)n(Cc3ccc(C)cc3)c3cc(C)ccc23)cc1
    InChI
    InChI=1S/C28H30N2O2/c1-4-21-10-12-22(13-11-21)16-29-17-25-24-14-7-20(3)15-26(24)30(27(25)28(31)32)18-23-8-5-19(2)6-9-23/h5-15,29H,4,16-18H2,1-3H3,(H,31,32)
    MOLECULAR FORMULA
    C28H30N2O2
    CROSS REFERENCES
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    canSAR1502247

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.23
    AlogP 5.86
    HBond donors 2
    HBond acceptors 4
    Atoms 62
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1502247.