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canSAR1154030
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NAMES
    SMILES
    O=C(NC(=S)NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC3C2c2cccs2)cc1)c1ccccc1
    InChI
    InChI=1S/C28H22N4O3S3/c33-27(18-7-2-1-3-8-18)29-28(36)31-38(34,35)21-14-12-20(13-15-21)32-26(24-11-6-16-37-24)23-17-19-9-4-5-10-22(19)25(23)30-32/h1-16,23,26H,17H2,(H2,29,31,33,36)
    MOLECULAR FORMULA
    C28H22N4O3S3
    CROSS REFERENCES
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    canSAR1154030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.09
    AlogP 4.88
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    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 canSAR1154030.