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canSAR653423
FEATURES
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NAMES
    SMILES
    Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C21H15ClF3N5O3/c1-12-10-14(22)4-8-17(12)27-19-16(7-9-18(28-19)21(23,24)25)20(31)29-26-11-13-2-5-15(6-3-13)30(32)33/h2-11H,1H3,(H,27,28)(H,29,31)/b26-11+
    MOLECULAR FORMULA
    C21H15ClF3N5O3
    CROSS REFERENCES
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    canSAR653423

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.08
    AlogP 5.48
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR653423.