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canSAR168759
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NAMES
    SMILES
    CC(C)(C)c1ccc(CS[n+]2cc3ccccc3c(=O)n2Nc2ccc(Cl)nn2)cc1
    InChI
    InChI=1S/C23H22ClN5OS/c1-23(2,3)18-10-8-16(9-11-18)15-31-28-14-17-6-4-5-7-19(17)22(30)29(28)27-21-13-12-20(24)25-26-21/h4-14H,15H2,1-3H3/p+1
    MOLECULAR FORMULA
    C23H23ClN5OS+
    CROSS REFERENCES
    168759 logo

    canSAR168759

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.13
    AlogP 4.60
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    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 canSAR168759.