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canSAR1972076
FEATURES
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NAMES
    SMILES
    Cc1cc(N2CCCC(O)C2)nc2ccccc12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H18N2O.C2HF3O2/c1-11-9-15(17-8-4-5-12(18)10-17)16-14-7-3-2-6-13(11)14;3-2(4,5)1(6)7/h2-3,6-7,9,12,18H,4-5,8,10H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C17H19F3N2O3
    CROSS REFERENCES
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    canSAR1972076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.13
    AlogP 3.14
    HBond donors 2
    HBond acceptors 5
    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 canSAR1972076.