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canSAR551445
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(C)C)c2c1.CS(=O)(=O)O
    InChI
    InChI=1S/C18H19N5O3.CH4O3S/c1-21(2)8-9-22-14-6-7-15(23(24)25)18-16(14)17(20-22)12-10-11(26-3)4-5-13(12)19-18;1-5(2,3)4/h4-7,10,19H,8-9H2,1-3H3;1H3,(H,2,3,4)
    MOLECULAR FORMULA
    C19H23N5O6S
    CROSS REFERENCES
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    canSAR551445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.14
    AlogP 2.65
    HBond donors 2
    HBond acceptors 11
    Atoms 54
    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 canSAR551445.