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canSAR1206309
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NAMES
    SMILES
    CC#C[C@H]1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(COC)C(F)(F)F)cc1
    InChI
    InChI=1S/C22H25F3N4O4S/c1-3-4-18-14-28(34(31,32)19-9-10-20(26)27-13-19)11-12-29(18)17-7-5-16(6-8-17)21(30,15-33-2)22(23,24)25/h5-10,13,18,30H,11-12,14-15H2,1-2H3,(H2,26,27)/t18-,21?/m0/s1
    MOLECULAR FORMULA
    C22H25F3N4O4S
    CROSS REFERENCES
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    canSAR1206309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.15
    AlogP 1.96
    HBond donors 3
    HBond acceptors 8
    Atoms 59
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1206309.