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canSAR563327
FEATURES
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NAMES
    SMILES
    CC(=O)c1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1.O/C=C/O
    InChI
    InChI=1S/C20H25N3O4.C2H4O2/c1-15(24)18-9-5-6-10-19(18)27-14-17(25)13-21-11-12-22-20(26)23-16-7-3-2-4-8-16;3-1-2-4/h2-10,17,21,25H,11-14H2,1H3,(H2,22,23,26);1-4H/b;2-1+
    MOLECULAR FORMULA
    C22H29N3O6
    CROSS REFERENCES
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    canSAR563327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.21
    AlogP 2.61
    HBond donors 6
    HBond acceptors 9
    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 canSAR563327.