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canSAR1966258
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NAMES
    SMILES
    CNC[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1
    InChI
    InChI=1S/C22H22N2O2S/c1-12-10-17(25)18(15-6-4-14(5-7-15)13(2)11-23-3)19-16-8-9-27-21(16)22(26)24-20(12)19/h4-10,13,23,25H,11H2,1-3H3,(H,24,26)/t13-/m0/s1
    MOLECULAR FORMULA
    C22H22N2O2S
    CROSS REFERENCES
    1966258 logo

    canSAR1966258

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.14
    AlogP 4.75
    HBond donors 3
    HBond acceptors 4
    Atoms 49
    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 canSAR1966258.