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canSAR2208714
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NAMES
    SMILES
    O=c1[nH]c(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
    InChI
    InChI=1S/C23H25F3N6O2S/c24-23(25,26)15-4-1-3-14(11-15)17-13-35-21(29-17)18-19(28-16-5-2-6-27-12-16)30-22(31-20(18)33)32-7-9-34-10-8-32/h1,3-4,11,13,16,27H,2,5-10,12H2,(H2,28,30,31,33)/t16-/m1/s1
    MOLECULAR FORMULA
    C23H25F3N6O2S
    CROSS REFERENCES
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    canSAR2208714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.17
    AlogP 3.58
    HBond donors 3
    HBond acceptors 8
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2208714.