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canSAR1722530
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NAMES
    SMILES
    Cc1cc(C#N)cnc1C(=O)Nc1ccc(Cl)c([C@@]2(CF)N=C(N)O[C@@H]3C[C@@H]32)c1
    InChI
    InChI=1S/C20H17ClFN5O2/c1-10-4-11(7-23)8-25-17(10)18(28)26-12-2-3-15(21)13(5-12)20(9-22)14-6-16(14)29-19(24)27-20/h2-5,8,14,16H,6,9H2,1H3,(H2,24,27)(H,26,28)/t14-,16+,20+/m0/s1
    MOLECULAR FORMULA
    C20H17ClFN5O2
    CROSS REFERENCES
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    canSAR1722530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.11
    AlogP 3.07
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    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 canSAR1722530.