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canSAR1720786
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NAMES
    SMILES
    Cc1cc([C@@H]2CCC3CCC2N3)on1.O=C(O)C(=O)O
    InChI
    InChI=1S/C11H16N2O.C2H2O4/c1-7-6-11(14-13-7)9-4-2-8-3-5-10(9)12-8;3-1(4)2(5)6/h6,8-10,12H,2-5H2,1H3;(H,3,4)(H,5,6)/t8?,9-,10?;/m1./s1
    MOLECULAR FORMULA
    C13H18N2O5
    CROSS REFERENCES
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    canSAR1720786

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 282.12
    AlogP 1.14
    HBond donors 3
    HBond acceptors 7
    Atoms 38
    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 canSAR1720786.