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canSAR1826842
FEATURES
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NAMES
    SMILES
    CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1.O=S(=O)(O)O
    InChI
    InChI=1S/C20H24N2O4.H2O4S/c1-3-11-25-18-10-7-16(19(13-18)26-12-4-2)14-21-22-17-8-5-15(6-9-17)20(23)24;1-5(2,3)4/h5-10,13-14,22H,3-4,11-12H2,1-2H3,(H,23,24);(H2,1,2,3,4)/b21-14+;
    MOLECULAR FORMULA
    C20H26N2O8S
    CROSS REFERENCES
    1826842 logo

    canSAR1826842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.14
    AlogP 3.76
    HBond donors 4
    HBond acceptors 10
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1826842.