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canSAR149135
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NAMES
    SMILES
    CCOc1nc2cccc(C(=O)OCOC(=O)OC3CCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
    InChI
    InChI=1S/C31H30N6O6/c1-2-40-30-32-26-13-7-12-25(29(38)41-19-42-31(39)43-22-8-3-4-9-22)27(26)37(30)18-20-14-16-21(17-15-20)23-10-5-6-11-24(23)28-33-35-36-34-28/h5-7,10-17,22H,2-4,8-9,18-19H2,1H3,(H,33,34,35,36)
    MOLECULAR FORMULA
    C31H30N6O6
    CROSS REFERENCES
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    canSAR149135

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.22
    AlogP 5.54
    HBond donors 1
    HBond acceptors 12
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR149135.