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canSAR1637171
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NAMES
    SMILES
    CCCN(CCC)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCI)cc1
    InChI
    InChI=1S/C25H32IN2S/c1-3-18-27(19-4-2)22-14-11-21(12-15-22)13-16-25-28(20-8-7-17-26)23-9-5-6-10-24(23)29-25/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3/q+1
    MOLECULAR FORMULA
    C25H32IN2S+
    CROSS REFERENCES
    1637171 logo

    canSAR1637171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.13
    AlogP 7.20
    HBond donors 0
    HBond acceptors 2
    Atoms 61
    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 canSAR1637171.