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canSAR671021
FEATURES
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NAMES
    SMILES
    CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Br)cc1
    InChI
    InChI=1S/C19H13BrN4/c1-10-14(7-12-3-5-13(20)6-4-12)17-11(2)16(9-22)19(23)24-18(17)15(10)8-21/h3-7H,1-2H3,(H2,23,24)/b14-7+
    MOLECULAR FORMULA
    C19H13BrN4
    CROSS REFERENCES
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    canSAR671021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.03
    AlogP 4.46
    HBond donors 2
    HBond acceptors 4
    Atoms 37
    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 canSAR671021.