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canSAR836394
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NAMES
    SMILES
    CCOC(=O)C1=C(C)NC(SC)NC1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
    InChI
    InChI=1S/C24H25BrN4O2S/c1-4-31-23(30)20-15(2)26-24(32-3)27-22(20)19-14-29(18-8-6-5-7-9-18)28-21(19)16-10-12-17(25)13-11-16/h5-14,22,24,26-27H,4H2,1-3H3
    MOLECULAR FORMULA
    C24H25BrN4O2S
    CROSS REFERENCES
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    canSAR836394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.09
    AlogP 5.02
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR836394.