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canSAR1965651
FEATURES
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NAMES
    SMILES
    [C-]#[N+]c1cccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)c1
    InChI
    InChI=1S/C19H18N4O5S3/c1-21-14-5-3-4-12(10-14)13-6-7-15-16(11-13)29-19(23-15)17(30(2,25)26)18(24)22-8-9-31(20,27)28/h3-7,10-11,17H,8-9H2,2H3,(H,22,24)(H2,20,27,28)
    MOLECULAR FORMULA
    C19H18N4O5S3
    CROSS REFERENCES
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    canSAR1965651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.04
    AlogP 2.00
    HBond donors 3
    HBond acceptors 9
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1965651.