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canSAR1266379
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NAMES
    SMILES
    COc1cc(OC)cc(/C(C#N)=C/c2nc3ccccc3s2)c1
    InChI
    InChI=1S/C18H14N2O2S/c1-21-14-7-12(8-15(10-14)22-2)13(11-19)9-18-20-16-5-3-4-6-17(16)23-18/h3-10H,1-2H3/b13-9+
    MOLECULAR FORMULA
    C18H14N2O2S
    CROSS REFERENCES
    1266379 logo

    canSAR1266379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 322.08
    AlogP 4.38
    HBond donors 0
    HBond acceptors 4
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1266379.