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canSAR1127009
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NAMES
    SMILES
    CCOc1cc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)ccc1OC
    InChI
    InChI=1S/C20H18N2O5S/c1-3-27-16-9-12(7-8-15(16)26-2)10-17-18(23)22-20(28-17)21-14-6-4-5-13(11-14)19(24)25/h4-11H,3H2,1-2H3,(H,24,25)(H,21,22,23)/b17-10+
    MOLECULAR FORMULA
    C20H18N2O5S
    CROSS REFERENCES
    1127009 logo

    canSAR1127009

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.09
    AlogP 3.87
    HBond donors 2
    HBond acceptors 7
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1127009.