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canSAR560035
FEATURES
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NAMES
    SMILES
    CC(C)NC(=O)OCCCc1c[nH]cn1.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C10H17N3O2.C4H4O4/c1-8(2)13-10(14)15-5-3-4-9-6-11-7-12-9;5-3(6)1-2-4(7)8/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C14H21N3O6
    CROSS REFERENCES
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    canSAR560035

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.14
    AlogP 1.19
    HBond donors 4
    HBond acceptors 9
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560035.