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canSAR1015838
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NAMES
    SMILES
    COc1cccc(CNC(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2CN2CCOCC2)c1
    InChI
    InChI=1S/C25H27N5O3/c1-32-20-4-2-3-17(11-20)13-26-25(31)24-22(16-30-7-9-33-10-8-30)21-6-5-18(12-23(21)29-24)19-14-27-28-15-19/h2-6,11-12,14-15,29H,7-10,13,16H2,1H3,(H,26,31)(H,27,28)
    MOLECULAR FORMULA
    C25H27N5O3
    CROSS REFERENCES
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    canSAR1015838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.21
    AlogP 3.33
    HBond donors 3
    HBond acceptors 8
    Atoms 60
    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 canSAR1015838.