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canSAR837367
FEATURES
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NAMES
    SMILES
    CCCc1ccc(-c2cn([C@H]3C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]3NC(C)=O)nn2)cc1
    InChI
    InChI=1S/C22H28N4O7/c1-3-4-13-5-7-14(8-6-13)15-10-26(25-24-15)16-9-18(22(31)32)33-21(19(16)23-12(2)28)20(30)17(29)11-27/h5-10,16-17,19-21,27,29-30H,3-4,11H2,1-2H3,(H,23,28)(H,31,32)/t16-,17+,19+,20+,21+/m0/s1
    MOLECULAR FORMULA
    C22H28N4O7
    CROSS REFERENCES
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    canSAR837367

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.20
    AlogP 0.02
    HBond donors 5
    HBond acceptors 11
    Atoms 61
    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 canSAR837367.