canSAR543251
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCOc1ccc(OC)cc1CN(C(C)=O)c1cccc(C[n+]2csc(C)c2)c1.[Br-]
    InChI
    InChI=1S/C35H51N2O3S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-40-35-21-20-34(39-4)24-32(35)27-37(30(3)38)33-19-17-18-31(23-33)26-36-25-29(2)41-28-36;/h17-21,23-25,28H,5-16,22,26-27H2,1-4H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C35H51BrN2O3S
    CROSS REFERENCES
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    canSAR543251
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight658.28
    AlogP6.04
    HBond donors0
    HBond acceptors5
    Atoms93
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR543251.