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canSAR1445404
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NAMES
    SMILES
    COc1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1
    InChI
    InChI=1S/C19H18N6O2S/c1-27-13-8-6-12(7-9-13)18-22-24-25(23-18)11-17(26)21-19-15(10-20)14-4-2-3-5-16(14)28-19/h6-9H,2-5,11H2,1H3,(H,21,26)
    MOLECULAR FORMULA
    C19H18N6O2S
    CROSS REFERENCES
    1445404 logo

    canSAR1445404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.12
    AlogP 2.80
    HBond donors 1
    HBond acceptors 8
    Atoms 46
    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 canSAR1445404.