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canSAR744003
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NAMES
    SMILES
    COc1cc2c3ccccc3[n+](C)c3c4ccc(Cl)cc4n(C)c(c1)c23
    InChI
    InChI=1S/C22H18ClN2O/c1-24-19-10-13(23)8-9-16(19)22-21-17(11-14(26-3)12-20(21)24)15-6-4-5-7-18(15)25(22)2/h4-12H,1-3H3/q+1
    MOLECULAR FORMULA
    C22H18ClN2O+
    CROSS REFERENCES
    744003 logo

    canSAR744003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.11
    AlogP 5.12
    HBond donors 0
    HBond acceptors 3
    Atoms 44
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR744003.