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canSAR2096308
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C1[C@H]2CN(CC3CC3)C[C@H]2CN1Cc1cccc(F)c1
    InChI
    InChI=1S/C17H21FN2O.C2HF3O2/c18-15-3-1-2-13(6-15)8-20-10-14-9-19(7-12-4-5-12)11-16(14)17(20)21;3-2(4,5)1(6)7/h1-3,6,12,14,16H,4-5,7-11H2;(H,6,7)/t14-,16-;/m0./s1
    MOLECULAR FORMULA
    C19H22F4N2O3
    CROSS REFERENCES
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    canSAR2096308

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.16
    AlogP 2.76
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR2096308.