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canSAR1502528
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NAMES
    SMILES
    O=C1c2ccccc2C(=O)c2c1cc(Sc1ccccc1Br)c1nsnc21
    InChI
    InChI=1S/C20H9BrN2O2S2/c21-13-7-3-4-8-14(13)26-15-9-12-16(18-17(15)22-27-23-18)20(25)11-6-2-1-5-10(11)19(12)24/h1-9H
    MOLECULAR FORMULA
    C20H9BrN2O2S2
    CROSS REFERENCES
    1502528 logo

    canSAR1502528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.93
    AlogP 5.38
    HBond donors 0
    HBond acceptors 4
    Atoms 36
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1502528.