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canSAR78446
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NAMES
    SMILES
    CC(C)CC(OCC1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)O
    InChI
    InChI=1S/C21H30N2O6/c1-15(2)11-18(20(26)22-12-19(24)25)28-14-17-9-6-10-23(17)21(27)29-13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,22,26)(H,24,25)
    MOLECULAR FORMULA
    C21H30N2O6
    CROSS REFERENCES
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    canSAR78446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.21
    AlogP 2.42
    HBond donors 2
    HBond acceptors 8
    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 canSAR78446.