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canSAR784904
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NAMES
    SMILES
    CC(C)C(c1nncn1C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
    InChI
    InChI=1S/C21H21Cl2N5/c1-14(2)20(21-26-25-13-27(21)3)28(12-16-6-4-5-7-18(16)22)17-9-8-15(11-24)19(23)10-17/h4-10,13-14,20H,12H2,1-3H3
    MOLECULAR FORMULA
    C21H21Cl2N5
    CROSS REFERENCES
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    canSAR784904

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.12
    AlogP 5.40
    HBond donors 0
    HBond acceptors 5
    Atoms 49
    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 canSAR784904.