canSAR1600043
FEATURES
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NAMES
    SMILES
    Sc1nnc(-c2ccco2)n1-c1cccc2ccccc12
    InChI
    InChI=1S/C16H11N3OS/c21-16-18-17-15(14-9-4-10-20-14)19(16)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,18,21)
    MOLECULAR FORMULA
    C16H11N3OS
    CROSS REFERENCES
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    canSAR1600043
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight293.06
    AlogP3.97
    HBond donors0
    HBond acceptors4
    Atoms32
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1600043.