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canSAR1155646
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NAMES
    SMILES
    COc1ccc(/C=C2\SC(c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)cc1
    InChI
    InChI=1S/C39H30N4O5S/c1-24-7-11-26(12-8-24)35-40-33-6-4-3-5-32(33)37(46)42(35)29-17-13-27(14-18-29)36(45)41-43-38(47)34(23-25-9-21-31(48-2)22-10-25)49-39(43)28-15-19-30(44)20-16-28/h3-23,39,44H,1-2H3,(H,41,45)/b34-23-
    MOLECULAR FORMULA
    C39H30N4O5S
    CROSS REFERENCES
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    canSAR1155646

    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 canSAR1155646.