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canSAR558111
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NAMES
    SMILES
    CCc1cc2c3c(cc[n+]2nc1CC)c1ccccc1n3CCCBr
    InChI
    InChI=1S/C21H23BrN3/c1-3-15-14-20-21-17(10-13-25(20)23-18(15)4-2)16-8-5-6-9-19(16)24(21)12-7-11-22/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3/q+1
    MOLECULAR FORMULA
    C21H23BrN3+
    CROSS REFERENCES
    558111 logo

    canSAR558111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.11
    AlogP 4.84
    HBond donors 0
    HBond acceptors 3
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR558111.