canSAR1649318
FEATURES
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NAMES
    SMILES
    COCCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
    InChI
    InChI=1S/C15H16N4O4S/c1-22-9-8-16-15(24)18-17-10-13-6-7-14(23-13)11-2-4-12(5-3-11)19(20)21/h2-7,10H,8-9H2,1H3,(H2,16,18,24)/b17-10+
    MOLECULAR FORMULA
    C15H16N4O4S
    CROSS REFERENCES
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    canSAR1649318
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight348.09
    AlogP2.30
    HBond donors2
    HBond acceptors8
    Atoms40
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649318.