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canSAR1104401
FEATURES
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NAMES
    SMILES
    Cn1nnnc1Sc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O
    InChI
    InChI=1S/C14H12N6O5S2/c1-19-14(15-17-18-19)26-13-8-9(2-7-12(13)21)16-27(24,25)11-5-3-10(4-6-11)20(22)23/h2-8,16,21H,1H3
    MOLECULAR FORMULA
    C14H12N6O5S2
    CROSS REFERENCES
    1104401 logo

    canSAR1104401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.03
    AlogP 1.78
    HBond donors 2
    HBond acceptors 11
    Atoms 39
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1104401.