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canSAR2004197
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.[Br-]
    InChI
    InChI=1S/C29H41ClNS.BrH/c1-4-5-6-7-8-9-10-11-14-21-31(2,3)22-15-17-25-26-16-12-13-18-28(26)32-29-20-19-24(30)23-27(25)29;/h12-13,16-20,23H,4-11,14-15,21-22H2,1-3H3;1H/q+1;/p-1/b25-17-;
    MOLECULAR FORMULA
    C29H41BrClNS
    CROSS REFERENCES
    2004197 logo

    canSAR2004197

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.18
    AlogP 6.24
    HBond donors 0
    HBond acceptors 1
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2004197.