canSAR1585880
FEATURES
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NAMES
    SMILES
    CCCCCSc1nc(O)c2cnn(-c3ccccc3)c2n1
    InChI
    InChI=1S/C16H18N4OS/c1-2-3-7-10-22-16-18-14-13(15(21)19-16)11-17-20(14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,18,19,21)
    MOLECULAR FORMULA
    C16H18N4OS
    CROSS REFERENCES
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    canSAR1585880
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight314.12
    AlogP3.80
    HBond donors1
    HBond acceptors5
    Atoms40
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1585880.