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canSAR161746
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NAMES
    SMILES
    CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)cc1
    InChI
    InChI=1S/C27H30N4O2/c1-5-23-29-24-18(3)16-19(4)28-26(24)31(23)17-20-12-14-22(15-13-20)30(6-2)25(27(32)33)21-10-8-7-9-11-21/h7-16,25H,5-6,17H2,1-4H3,(H,32,33)
    MOLECULAR FORMULA
    C27H30N4O2
    CROSS REFERENCES
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    canSAR161746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.24
    AlogP 5.31
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR161746.