canSAR1932095
FEATURES
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NAMES
    SMILES
    COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(C(=O)O)cc2)s1
    InChI
    InChI=1S/C23H19N3O3S/c1-15-8-13-20(29-2)19(14-15)24-23-25-26(18-6-4-3-5-7-18)21(30-23)16-9-11-17(12-10-16)22(27)28/h3-14H,1-2H3,(H-,24,25,27,28)/p+1
    MOLECULAR FORMULA
    C23H20N3O3S+
    CROSS REFERENCES
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    canSAR1932095
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.12
    AlogP4.85
    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 canSAR1932095.