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canSAR1969498
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NAMES
    SMILES
    COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Cl)cn4)n3)c2C#N)cc1
    InChI
    InChI=1S/C23H15ClN6OS2/c1-31-16-5-2-13(3-6-16)20-17(8-25)21(27)30-22(18(20)9-26)32-11-15-12-33-23(29-15)19-7-4-14(24)10-28-19/h2-7,10,12H,11H2,1H3,(H2,27,30)
    MOLECULAR FORMULA
    C23H15ClN6OS2
    CROSS REFERENCES
    1969498 logo

    canSAR1969498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.04
    AlogP 5.55
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    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 canSAR1969498.