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canSAR1998724
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NAMES
    SMILES
    Cc1nc(-c2ccccc2)sc1C1(C)CC(c2ccc(C#N)cc2)=NO1
    InChI
    InChI=1S/C21H17N3OS/c1-14-19(26-20(23-14)17-6-4-3-5-7-17)21(2)12-18(24-25-21)16-10-8-15(13-22)9-11-16/h3-11H,12H2,1-2H3
    MOLECULAR FORMULA
    C21H17N3OS
    CROSS REFERENCES
    1998724 logo

    canSAR1998724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.11
    AlogP 5.03
    HBond donors 0
    HBond acceptors 4
    Atoms 43
    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 canSAR1998724.