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canSAR551077
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NAMES
    SMILES
    CC(C)(C)C1=CC(=C/C=C/c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)C=C(C(C)(C)C)S1.[Cl-]
    InChI
    InChI=1S/C29H43S2.ClH/c1-26(2,3)22-16-20(17-23(30-22)27(4,5)6)14-13-15-21-18-24(28(7,8)9)31-25(19-21)29(10,11)12;/h13-19H,1-12H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C29H43ClS2
    CROSS REFERENCES
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    canSAR551077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.25
    AlogP 7.17
    HBond donors 0
    HBond acceptors 0
    Atoms 75
    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 canSAR551077.