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canSAR2019781
FEATURES
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NAMES
    SMILES
    O=C(O)CCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C21H24N6O6S2/c28-20(29)6-3-10-24-35(32,33)15-7-8-18(19(12-15)27(30)31)25-26-21(34)22-11-9-14-13-23-17-5-2-1-4-16(14)17/h1-2,4-5,7-8,12-13,23-25H,3,6,9-11H2,(H3,22,26,28,29,34)
    MOLECULAR FORMULA
    C21H24N6O6S2
    CROSS REFERENCES
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    canSAR2019781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.12
    AlogP 2.12
    HBond donors 5
    HBond acceptors 12
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2019781.