canSAR1810092
FEATURES
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NAMES
    SMILES
    COc1ccc(C2CC(c3ccccc3)=NN2c2ccc([S+](N)(=O)[O-])cc2)cc1
    InChI
    InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2-,23,26,27)
    MOLECULAR FORMULA
    C22H21N3O3S
    CROSS REFERENCES
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    canSAR1810092
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight407.13
    AlogP3.91
    HBond donors2
    HBond acceptors6
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810092.