canSAR1417461
FEATURES
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NAMES
    SMILES
    CCOc1ccc(NC(S)=Nc2cc(C)[nH]n2)cc1
    InChI
    InChI=1S/C13H16N4OS/c1-3-18-11-6-4-10(5-7-11)14-13(19)15-12-8-9(2)16-17-12/h4-8H,3H2,1-2H3,(H3,14,15,16,17,19)
    MOLECULAR FORMULA
    C13H16N4OS
    CROSS REFERENCES
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    canSAR1417461
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight276.10
    AlogP3.15
    HBond donors2
    HBond acceptors5
    Atoms35
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417461.