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canSAR1689344
FEATURES
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NAMES
    SMILES
    Cc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)o1.O=C(O)C(=O)O
    InChI
    InChI=1S/C17H28N2O2.C2H2O4/c1-13(2)6-9-18-17(20)15-7-10-19(11-8-15)12-16-5-4-14(3)21-16;3-1(4)2(5)6/h4-5,13,15H,6-12H2,1-3H3,(H,18,20);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C19H30N2O6
    CROSS REFERENCES
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    canSAR1689344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.21
    AlogP 2.12
    HBond donors 3
    HBond acceptors 8
    Atoms 57
    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 canSAR1689344.