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canSAR1445739
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NAMES
    SMILES
    Oc1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1Br
    InChI
    InChI=1S/C15H11BrN4OS/c16-12-8-10(6-7-13(12)21)9-17-20-14(18-19-15(20)22)11-4-2-1-3-5-11/h1-9,21H,(H,19,22)
    MOLECULAR FORMULA
    C15H11BrN4OS
    CROSS REFERENCES
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    canSAR1445739

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 373.98
    AlogP 3.58
    HBond donors 1
    HBond acceptors 5
    Atoms 33
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1445739.