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canSAR551641
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NAMES
    SMILES
    COc1cc2c[n+]3c(c(C)c2cc1OC)-c1cc2c(cc1CC3)OCO2.[Cl-]
    InChI
    InChI=1S/C21H20NO4.ClH/c1-12-15-8-18(24-3)17(23-2)7-14(15)10-22-5-4-13-6-19-20(26-11-25-19)9-16(13)21(12)22;/h6-10H,4-5,11H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C21H20ClNO4
    CROSS REFERENCES
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    canSAR551641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.11
    AlogP 0.41
    HBond donors 0
    HBond acceptors 5
    Atoms 47
    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 canSAR551641.