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canSAR1988593
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NAMES
    SMILES
    COc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(I)cc4)n3)c2C#N)cc1
    InChI
    InChI=1S/C24H16IN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30)
    MOLECULAR FORMULA
    C24H16IN5OS2
    CROSS REFERENCES
    1988593 logo

    canSAR1988593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.98
    AlogP 6.10
    HBond donors 2
    HBond acceptors 6
    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 canSAR1988593.