canSAR604247
FEATURES
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NAMES
    SMILES
    Brc1cnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc2c1N1CCN(Cc2cccc3c2OCO3)CC1
    InChI
    InChI=1S/C29H31BrN6O3/c30-23-16-31-29-25(32-28(33-29)21-6-4-20(5-7-21)17-35-12-14-37-15-13-35)26(23)36-10-8-34(9-11-36)18-22-2-1-3-24-27(22)39-19-38-24/h1-7,16H,8-15,17-19H2,(H,31,32,33)
    MOLECULAR FORMULA
    C29H31BrN6O3
    CROSS REFERENCES
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    canSAR604247
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight590.16
    AlogP4.27
    HBond donors1
    HBond acceptors9
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR604247.