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canSAR2095669
FEATURES
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NAMES
    SMILES
    N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CC2)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H21N3O.C2HF3O2/c19-11-14-2-1-3-15(10-14)18(22)21-9-7-16-17(21)6-8-20(16)12-13-4-5-13;3-2(4,5)1(6)7/h1-3,10,13,16-17H,4-9,12H2;(H,6,7)/t16-,17+;/m0./s1
    MOLECULAR FORMULA
    C20H22F3N3O3
    CROSS REFERENCES
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    canSAR2095669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.16
    AlogP 2.89
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    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 canSAR2095669.