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canSAR1489636
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NAMES
    SMILES
    CN(C)CCCn1c(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc2c1=O
    InChI
    InChI=1S/C24H24BrN5O2S2/c1-29(2)11-6-12-30-22(32)18-9-3-4-10-19(18)27-24(30)34-15-21(31)28-23-26-20(14-33-23)16-7-5-8-17(25)13-16/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,26,28,31)
    MOLECULAR FORMULA
    C24H24BrN5O2S2
    CROSS REFERENCES
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    canSAR1489636

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.06
    AlogP 4.96
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1489636.