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canSAR546172
FEATURES
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NAMES
    SMILES
    CC(=O)c1ccc(N2CCN(C)CC2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C13H18N2O.C2H2O4/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15;3-1(4)2(5)6/h3-6H,7-10H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C15H20N2O5
    CROSS REFERENCES
    546172 logo

    canSAR546172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.14
    AlogP 0.80
    HBond donors 2
    HBond acceptors 7
    Atoms 42
    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 canSAR546172.