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canSAR1092112
FEATURES
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NAMES
    SMILES
    CC1Cc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C20H21N3O6S/c1-13-10-14-6-4-5-7-16(14)22(13)19(24)12-21(2)20(25)15-8-9-18(30(3,28)29)17(11-15)23(26)27/h4-9,11,13H,10,12H2,1-3H3
    MOLECULAR FORMULA
    C20H21N3O6S
    CROSS REFERENCES
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    canSAR1092112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.12
    AlogP 2.05
    HBond donors 0
    HBond acceptors 9
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092112.