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canSAR1061806
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3C2c2ccccc2O)ccc1O
    InChI
    InChI=1S/C35H28N2O6S/c1-42-30-19-21(12-16-27(30)39)11-15-24-33(29(41)18-14-22-13-17-28(40)31(20-22)43-2)34(23-7-3-5-9-26(23)38)37-25-8-4-6-10-32(25)44-35(37)36-24/h3-20,34,38-40H,1-2H3/b15-11+,18-14+
    MOLECULAR FORMULA
    C35H28N2O6S
    CROSS REFERENCES
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    canSAR1061806

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 604.17
    AlogP 7.09
    HBond donors 3
    HBond acceptors 8
    Atoms 72
    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 canSAR1061806.