canSAR594516
FEATURES
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NAMES
    SMILES
    COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC.[Br-]
    InChI
    InChI=1S/C26H32NO3S.BrH/c1-27(18-20-7-5-4-6-8-20)13-11-19(12-14-27)9-10-22(28)26-16-21-15-23(29-2)24(30-3)17-25(21)31-26;/h4-8,15-17,19H,9-14,18H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C26H32BrNO3S
    CROSS REFERENCES
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    canSAR594516
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight517.13
    AlogP2.94
    HBond donors0
    HBond acceptors4
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR594516.