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canSAR660999
FEATURES
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCCCOc1cccc2[nH]c4ccccc4c12)CCc1cc2c(cc1-3)OCO2
    InChI
    InChI=1S/C36H33N2O5/c1-39-32-13-12-23-18-30-26-20-34-33(42-22-43-34)19-24(26)14-15-38(30)21-27(23)36(32)41-17-6-2-5-16-40-31-11-7-10-29-35(31)25-8-3-4-9-28(25)37-29/h3-4,7-13,18-21,37H,2,5-6,14-17,22H2,1H3/q+1
    MOLECULAR FORMULA
    C36H33N2O5+
    CROSS REFERENCES
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    canSAR660999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.24
    AlogP 7.35
    HBond donors 1
    HBond acceptors 7
    Atoms 76
    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 canSAR660999.