canSAR1774929
FEATURES
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NAMES
    SMILES
    CCCC1NC(=O)c2cccnc2-n2c1nc1ccc(Cl)cc1c2=O.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H15ClN4O2.C2HF3O2/c1-2-4-14-16-21-13-7-6-10(19)9-12(13)18(25)23(16)15-11(17(24)22-14)5-3-8-20-15;3-2(4,5)1(6)7/h3,5-9,14H,2,4H2,1H3,(H,22,24);(H,6,7)
    MOLECULAR FORMULA
    C20H16ClF3N4O4
    CROSS REFERENCES
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    canSAR1774929
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight468.08
    AlogP3.65
    HBond donors2
    HBond acceptors8
    Atoms48
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1774929.