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canSAR2051217
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)OCC)S1(=O)=O
    InChI
    InChI=1S/C22H23N3O10S/c1-3-34-21(26)19-17(13-5-9-15(10-6-13)24(28)29)23-18(14-7-11-16(12-8-14)25(30)31)20(36(19,32)33)22(27)35-4-2/h5-12,17-20,23H,3-4H2,1-2H3
    MOLECULAR FORMULA
    C22H23N3O10S
    CROSS REFERENCES
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    canSAR2051217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 521.11
    AlogP 2.17
    HBond donors 1
    HBond acceptors 13
    Atoms 59
    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 canSAR2051217.