canSAR1809110
FEATURES
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NAMES
    SMILES
    O=C(O)CC1SC(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NC1=O
    InChI
    InChI=1S/C16H12N4O6S/c21-14(22)7-13-15(23)18-16(27-13)19-17-8-9-5-6-12(26-9)10-3-1-2-4-11(10)20(24)25/h1-6,8,13H,7H2,(H,21,22)(H,18,19,23)/b17-8+
    MOLECULAR FORMULA
    C16H12N4O6S
    CROSS REFERENCES
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    canSAR1809110
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight388.05
    AlogP2.25
    HBond donors2
    HBond acceptors10
    Atoms39
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809110.