canSAR1846217
FEATURES
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NAMES
    SMILES
    COCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1
    InChI
    InChI=1S/C13H14N4O6S/c1-21-6-11-15-16-13(24-11)14-12(18)7-4-9(22-2)10(23-3)5-8(7)17(19)20/h4-5H,6H2,1-3H3,(H,14,16,18)
    MOLECULAR FORMULA
    C13H14N4O6S
    CROSS REFERENCES
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    canSAR1846217
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight354.06
    AlogP1.86
    HBond donors1
    HBond acceptors10
    Atoms38
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846217.