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canSAR1208111
FEATURES
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NAMES
    SMILES
    C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\N=C\C=C\c1ccc([N+](=O)[O-])s1
    InChI
    InChI=1S/C19H15N5O4S2/c1-2-12-22-17(14-5-7-15(8-6-14)23(25)26)13-29-19(22)21-20-11-3-4-16-9-10-18(30-16)24(27)28/h2-11,13H,1,12H2/b4-3+,20-11+,21-19-
    MOLECULAR FORMULA
    C19H15N5O4S2
    CROSS REFERENCES
    1208111 logo

    canSAR1208111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.06
    AlogP 4.88
    HBond donors 0
    HBond acceptors 9
    Atoms 45
    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 canSAR1208111.