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canSAR1133709
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NAMES
    SMILES
    CN1CCN(Cc2ccc(C(=O)Nc3ccc(-c4cncc(C#N)c4Nc4ccc(F)c(Cl)c4)cc3)cc2)CC1
    InChI
    InChI=1S/C31H28ClFN6O/c1-38-12-14-39(15-13-38)20-21-2-4-23(5-3-21)31(40)37-25-8-6-22(7-9-25)27-19-35-18-24(17-34)30(27)36-26-10-11-29(33)28(32)16-26/h2-11,16,18-19H,12-15,20H2,1H3,(H,35,36)(H,37,40)
    MOLECULAR FORMULA
    C31H28ClFN6O
    CROSS REFERENCES
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    canSAR1133709

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.20
    AlogP 6.16
    HBond donors 2
    HBond acceptors 7
    Atoms 68
    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 canSAR1133709.