canSAR542122
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCOc1cc(CN(C(C)=O)c2cccc(C[n+]3csc(C)c3)c2)ccc1C.[Br-]
    InChI
    InChI=1S/C35H51N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-39-35-24-33(21-20-29(35)2)27-37(31(4)38)34-19-17-18-32(23-34)26-36-25-30(3)40-28-36;/h17-21,23-25,28H,5-16,22,26-27H2,1-4H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C35H51BrN2O2S
    CROSS REFERENCES
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    canSAR542122
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight642.29
    AlogP6.34
    HBond donors0
    HBond acceptors4
    Atoms92
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR542122.