canSAR738138
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1
    InChI
    InChI=1S/C29H37N5O3/c1-21(2)22-10-12-23(13-11-22)32-28-25(7-6-14-30-28)29(36)31-19-24(35)20-33-15-17-34(18-16-33)26-8-4-5-9-27(26)37-3/h4-14,21,24,35H,15-20H2,1-3H3,(H,30,32)(H,31,36)
    MOLECULAR FORMULA
    C29H37N5O3
    CROSS REFERENCES
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    canSAR738138
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight503.29
    AlogP3.87
    HBond donors3
    HBond acceptors8
    Atoms74
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR738138.