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canSAR1121216
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NAMES
    SMILES
    CC(=O)Nc1cc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)ccn1
    InChI
    InChI=1S/C23H17N5O2S/c1-15(29)26-21-12-18(10-11-25-21)22-27-28-23(30-22)31-14-16-6-8-17(9-7-16)20-5-3-2-4-19(20)13-24/h2-12H,14H2,1H3,(H,25,26,29)
    MOLECULAR FORMULA
    C23H17N5O2S
    CROSS REFERENCES
    1121216 logo

    canSAR1121216

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.11
    AlogP 4.92
    HBond donors 1
    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 canSAR1121216.