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canSAR1153906
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NAMES
    SMILES
    COc1ccccc1/C=C1\SC(c2ccc(O)cc2)N(NC(=O)c2ccc(-n3c(-c4ccc(C)cc4)nc4ccccc4c3=O)cc2)C1=O
    InChI
    InChI=1S/C39H30N4O5S/c1-24-11-13-25(14-12-24)35-40-32-9-5-4-8-31(32)37(46)42(35)29-19-15-26(16-20-29)36(45)41-43-38(47)34(23-28-7-3-6-10-33(28)48-2)49-39(43)27-17-21-30(44)22-18-27/h3-23,39,44H,1-2H3,(H,41,45)/b34-23-
    MOLECULAR FORMULA
    C39H30N4O5S
    CROSS REFERENCES
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    canSAR1153906

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 666.19
    AlogP 7.04
    HBond donors 2
    HBond acceptors 9
    Atoms 79
    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 canSAR1153906.