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canSAR1688695
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
    InChI
    InChI=1S/C20H39N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h18-20H,3-17H2,1-2H3;/q+1;-1
    MOLECULAR FORMULA
    C22H39F6N3O4S2
    CROSS REFERENCES
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    canSAR1688695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.23
    AlogP 6.85
    HBond donors 0
    HBond acceptors 7
    Atoms 76
    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 canSAR1688695.