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canSAR1431840
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NAMES
    SMILES
    COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)N)cc1
    InChI
    InChI=1S/C20H18N2O2S/c1-11(21)12-3-5-13(6-4-12)17-16(24-2)8-7-15-18(17)14-9-10-25-19(14)20(23)22-15/h3-11H,21H2,1-2H3,(H,22,23)/t11-/m0/s1
    MOLECULAR FORMULA
    C20H18N2O2S
    CROSS REFERENCES
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    canSAR1431840

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.11
    AlogP 4.44
    HBond donors 3
    HBond acceptors 4
    Atoms 43
    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 canSAR1431840.