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canSAR1620852
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(C(CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)c3ccco3)CC2)cc1
    InChI
    InChI=1S/C27H30N4O6/c1-34-21-7-5-20(6-8-21)30-10-12-31(13-11-30)22(23-3-2-14-35-23)17-29-27(33)26(32)28-16-19-4-9-24-25(15-19)37-18-36-24/h2-9,14-15,22H,10-13,16-18H2,1H3,(H,28,32)(H,29,33)
    MOLECULAR FORMULA
    C27H30N4O6
    CROSS REFERENCES
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    canSAR1620852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.22
    AlogP 2.31
    HBond donors 2
    HBond acceptors 10
    Atoms 67
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620852.