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canSAR2085643
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NAMES
    SMILES
    CC1(C)[C@H]2Cc3c(nc(N)c(C#N)c3-c3cccc(Br)c3)[C@@H]1C2
    InChI
    InChI=1S/C19H18BrN3/c1-19(2)11-7-13-16(10-4-3-5-12(20)6-10)14(9-21)18(22)23-17(13)15(19)8-11/h3-6,11,15H,7-8H2,1-2H3,(H2,22,23)/t11-,15-/m0/s1
    MOLECULAR FORMULA
    C19H18BrN3
    CROSS REFERENCES
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    canSAR2085643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.07
    AlogP 4.65
    HBond donors 2
    HBond acceptors 3
    Atoms 41
    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 canSAR2085643.