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canSAR660209
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCCOn1nnc2ccccc21)CCc1cc2c(cc1-3)OCO2
    InChI
    InChI=1S/C29H27N4O5/c1-34-26-9-8-19-14-25-21-16-28-27(36-18-37-28)15-20(21)10-11-32(25)17-22(19)29(26)35-12-4-5-13-38-33-24-7-3-2-6-23(24)30-31-33/h2-3,6-9,14-17H,4-5,10-13,18H2,1H3/q+1
    MOLECULAR FORMULA
    C29H27N4O5+
    CROSS REFERENCES
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    canSAR660209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.20
    AlogP 4.12
    HBond donors 0
    HBond acceptors 9
    Atoms 65
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR660209.