canSAR2063931
FEATURES
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NAMES
    SMILES
    CNC(=O)c1ccc(Oc2cccc(NC(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)nc1
    InChI
    InChI=1S/C22H16F6N4O2S/c1-29-19(33)12-5-6-18(30-11-12)34-17-4-2-3-15(10-17)31-20(35)32-16-8-13(21(23,24)25)7-14(9-16)22(26,27)28/h2-11H,1H3,(H,29,33)(H2,31,32,35)
    MOLECULAR FORMULA
    C22H16F6N4O2S
    CROSS REFERENCES
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    canSAR2063931
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight514.09
    AlogP6.08
    HBond donors3
    HBond acceptors6
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063931.