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canSAR2096713
FEATURES
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NAMES
    SMILES
    COc1cccc(CN2CCC3(CCN(C(=O)[C@H]4CCCO4)CC3)C2)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C21H30N2O3.C2HF3O2/c1-25-18-5-2-4-17(14-18)15-22-10-7-21(16-22)8-11-23(12-9-21)20(24)19-6-3-13-26-19;3-2(4,5)1(6)7/h2,4-5,14,19H,3,6-13,15-16H2,1H3;(H,6,7)/t19-;/m1./s1
    MOLECULAR FORMULA
    C23H31F3N2O5
    CROSS REFERENCES
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    canSAR2096713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.22
    AlogP 3.32
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    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 canSAR2096713.