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canSAR1491043
FEATURES
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NAMES
    SMILES
    Cc1c(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)nn(C(=N)S)c2O)cccc1[N+](=O)[O-]
    InChI
    InChI=1S/C17H13N7O5S/c1-9-12(3-2-4-13(9)24(28)29)19-20-15-14(21-22(16(15)25)17(18)30)10-5-7-11(8-6-10)23(26)27/h2-8,25H,1H3,(H2,18,30)
    MOLECULAR FORMULA
    C17H13N7O5S
    CROSS REFERENCES
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    canSAR1491043

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.07
    AlogP 4.51
    HBond donors 2
    HBond acceptors 12
    Atoms 43
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1491043.