canSAR633357
FEATURES
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NAMES
    SMILES
    Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2
    InChI
    InChI=1S/C20H17N5O3S/c1-12-17-18(14-9-5-6-10-15(14)25(27)28)29-20(21)22-19(17)24(23-12)16(26)11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H2,21,22)
    MOLECULAR FORMULA
    C20H17N5O3S
    CROSS REFERENCES
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    canSAR633357
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight407.11
    AlogP4.17
    HBond donors2
    HBond acceptors8
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR633357.