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canSAR2091268
FEATURES
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NAMES
    SMILES
    CCC1=N[C@@]2(CC[C@@H]3CN(CC4CC4)C[C@@H]32)C(=O)N1C.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H25N3O.C2HF3O2/c1-3-14-17-16(15(20)18(14)2)7-6-12-9-19(10-13(12)16)8-11-4-5-11;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7)/t12-,13+,16-;/m1./s1
    MOLECULAR FORMULA
    C18H26F3N3O3
    CROSS REFERENCES
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    canSAR2091268

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.19
    AlogP 2.39
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR2091268.