canSAR2100934
FEATURES
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NAMES
    SMILES
    CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCS(=O)(=O)CC1
    InChI
    InChI=1S/C22H22N4O3S/c1-26-20(24)25-22(29-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-30(27,28)10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25)
    MOLECULAR FORMULA
    C22H22N4O3S
    CROSS REFERENCES
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    canSAR2100934
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight422.14
    AlogP2.32
    HBond donors2
    HBond acceptors7
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100934.