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canSAR562897
FEATURES
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NAMES
    SMILES
    COc1cc(COC(=O)CCCCCO[N+](=O)[O-])cc(OC)c1C(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1
    InChI
    InChI=1S/C29H43N5O11S/c1-29(2,3)30-17-21(19-43-27-26(31-46-32-27)33-10-13-41-14-11-33)45-28(36)25-22(39-4)15-20(16-23(25)40-5)18-42-24(35)9-7-6-8-12-44-34(37)38/h15-16,21,30H,6-14,17-19H2,1-5H3/t21-/m0/s1
    MOLECULAR FORMULA
    C29H43N5O11S
    CROSS REFERENCES
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    canSAR562897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 669.27
    AlogP 3.20
    HBond donors 1
    HBond acceptors 16
    Atoms 89
    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 canSAR562897.