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canSAR2088963
FEATURES
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NAMES
    SMILES
    Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccc(F)c2)cn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H21FN4O.C2HF3O2/c1-21-11-13(10-20-21)12-22-7-5-17-16(22)6-8-23(17)18(24)14-3-2-4-15(19)9-14;3-2(4,5)1(6)7/h2-4,9-11,16-17H,5-8,12H2,1H3;(H,6,7)/t16-,17+;/m0./s1
    MOLECULAR FORMULA
    C20H22F4N4O3
    CROSS REFERENCES
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    canSAR2088963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.16
    AlogP 2.68
    HBond donors 1
    HBond acceptors 7
    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 canSAR2088963.