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canSAR1156172
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NAMES
    SMILES
    COc1cc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(Cl)cc2)ccc1O
    InChI
    InChI=1S/C23H18ClN3O4S/c1-31-22-10-14(2-8-21(22)30)12-25-26-23-27(16-5-3-15(24)4-6-16)19(13-32-23)18-11-17(28)7-9-20(18)29/h2-13,28-30H,1H3/b25-12+,26-23-
    MOLECULAR FORMULA
    C23H18ClN3O4S
    CROSS REFERENCES
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    canSAR1156172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.07
    AlogP 4.92
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1156172.