canSAR1387857
FEATURES
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NAMES
    SMILES
    CCC1C(=O)OCC1Cc1c[n+](C/C(=N\O)c2ccc(Br)cc2)cn1C
    InChI
    InChI=1S/C19H22BrN3O3/c1-3-17-14(11-26-19(17)24)8-16-9-23(12-22(16)2)10-18(21-25)13-4-6-15(20)7-5-13/h4-7,9,12,14,17H,3,8,10-11H2,1-2H3/p+1/b21-18+
    MOLECULAR FORMULA
    C19H23BrN3O3+
    CROSS REFERENCES
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    canSAR1387857
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight420.09
    AlogP2.70
    HBond donors1
    HBond acceptors6
    Atoms49
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387857.