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canSAR2086462
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(Cc3ccccc3)C[C@@H]12
    InChI
    InChI=1S/C22H23N3O.C2HF3O2/c26-21-22(24-20(23-21)17-9-5-2-6-10-17)12-11-18-14-25(15-19(18)22)13-16-7-3-1-4-8-16;3-2(4,5)1(6)7/h1-10,18-19H,11-15H2,(H,23,24,26);(H,6,7)/t18-,19+,22-;/m1./s1
    MOLECULAR FORMULA
    C24H24F3N3O3
    CROSS REFERENCES
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    canSAR2086462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.18
    AlogP 3.48
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR2086462.