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canSAR2018029
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NAMES
    SMILES
    Cc1nn(CCc2nnc(S)n2-c2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-]
    InChI
    InChI=1S/C15H14ClFN6O2S/c1-8-14(23(24)25)9(2)21(20-8)6-5-13-18-19-15(26)22(13)10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,19,26)
    MOLECULAR FORMULA
    C15H14ClFN6O2S
    CROSS REFERENCES
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    canSAR2018029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.06
    AlogP 3.31
    HBond donors 0
    HBond acceptors 8
    Atoms 40
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2018029.