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canSAR163864
FEATURES
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NAMES
    SMILES
    COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)C(c3ccc(O)cc3)C2)c(C)cc1OCC(=O)O
    InChI
    InChI=1S/C26H23N3O8/c1-15-11-24(37-14-25(31)32)23(36-2)12-20(15)21-13-22(16-5-9-19(30)10-6-16)28(27-21)26(33)17-3-7-18(8-4-17)29(34)35/h3-12,22,30H,13-14H2,1-2H3,(H,31,32)
    MOLECULAR FORMULA
    C26H23N3O8
    CROSS REFERENCES
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    canSAR163864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.15
    AlogP 4.07
    HBond donors 2
    HBond acceptors 11
    Atoms 60
    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 canSAR163864.