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canSAR546997
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NAMES
    SMILES
    CCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3.[Cl-]
    InChI
    InChI=1S/C22H22NO4.ClH/c1-4-14-15-5-6-18(24-2)22(25-3)17(15)11-23-8-7-13-9-19-20(27-12-26-19)10-16(13)21(14)23;/h5-6,9-11H,4,7-8,12H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C22H22ClNO4
    CROSS REFERENCES
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    canSAR546997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.12
    AlogP 0.66
    HBond donors 0
    HBond acceptors 5
    Atoms 50
    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 canSAR546997.