canSAR1931962
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccccc3)n2C)cc1
    InChI
    InChI=1S/C20H20N4O3S/c1-24-18(12-21-19(26)15-8-10-16(27-2)11-9-15)22-23-20(24)28-13-17(25)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,21,26)
    MOLECULAR FORMULA
    C20H20N4O3S
    CROSS REFERENCES
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    canSAR1931962
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight396.13
    AlogP2.73
    HBond donors1
    HBond acceptors7
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1931962.