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canSAR1533886
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)OCCc2sc[n+](Cc3ccccc3)c2C)cc1
    InChI
    InChI=1S/C21H22NO2S/c1-16-8-10-19(11-9-16)21(23)24-13-12-20-17(2)22(15-25-20)14-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3/q+1
    MOLECULAR FORMULA
    C21H22NO2S+
    CROSS REFERENCES
    1533886 logo

    canSAR1533886

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.14
    AlogP 4.10
    HBond donors 0
    HBond acceptors 3
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1533886.