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canSAR502737
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NAMES
    SMILES
    COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NNC(=O)c2ccccc2O)cc1
    InChI
    InChI=1S/C25H23N5O4S/c1-34-19-13-11-18(12-14-19)30-22(15-17-7-3-2-4-8-17)26-29-25(30)35-16-23(32)27-28-24(33)20-9-5-6-10-21(20)31/h2-14,31H,15-16H2,1H3,(H,27,32)(H,28,33)
    MOLECULAR FORMULA
    C25H23N5O4S
    CROSS REFERENCES
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    canSAR502737

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.15
    AlogP 3.13
    HBond donors 3
    HBond acceptors 9
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR502737.