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canSAR2086782
FEATURES
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NAMES
    SMILES
    Cc1cccc(CN2C[C@@H]3CN(C(=O)NC(C)C)C[C@@H]3C2=O)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H24N4O2.C2HF3O2/c1-11(2)18-17(23)21-8-13-7-20(16(22)15(13)10-21)9-14-6-4-5-12(3)19-14;3-2(4,5)1(6)7/h4-6,11,13,15H,7-10H2,1-3H3,(H,18,23);(H,6,7)/t13-,15+;/m1./s1
    MOLECULAR FORMULA
    C19H25F3N4O4
    CROSS REFERENCES
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    canSAR2086782

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.18
    AlogP 2.03
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    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 canSAR2086782.