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canSAR1687277
FEATURES
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NAMES
    SMILES
    CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(OCCCO[N+](=O)[O-])cc21.[I-]
    InChI
    InChI=1S/C24H26N3O4S2.HI/c1-3-25-19-9-5-6-10-21(19)32-23(25)11-7-12-24-26(4-2)20-17-18(13-14-22(20)33-24)30-15-8-16-31-27(28)29;/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C24H26IN3O4S2
    CROSS REFERENCES
    1687277 logo

    canSAR1687277

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.04
    AlogP 2.68
    HBond donors 0
    HBond acceptors 7
    Atoms 60
    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 canSAR1687277.