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canSAR562854
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NAMES
    SMILES
    COc1cc2cc3[n+](cc2cc1OC)CCc1cc(OC)c(OC)c(OC)c1-3.[Cl-]
    InChI
    InChI=1S/C22H24NO5.ClH/c1-24-17-10-14-8-16-20-13(9-19(26-3)21(27-4)22(20)28-5)6-7-23(16)12-15(14)11-18(17)25-2;/h8-12H,6-7H2,1-5H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C22H24ClNO5
    CROSS REFERENCES
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    canSAR562854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.13
    AlogP 0.40
    HBond donors 0
    HBond acceptors 6
    Atoms 53
    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 canSAR562854.