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canSAR394880
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NAMES
    SMILES
    CC(C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1)NC(=O)C(=O)O
    InChI
    InChI=1S/C18H18N2O5S/c1-11(2)24-13-5-7-14(8-6-13)25-18-19-10-15(26-18)9-4-12(3)20-16(21)17(22)23/h5-8,10-12H,1-3H3,(H,20,21)(H,22,23)
    MOLECULAR FORMULA
    C18H18N2O5S
    CROSS REFERENCES
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    canSAR394880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.09
    AlogP 2.66
    HBond donors 2
    HBond acceptors 7
    Atoms 44
    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 canSAR394880.