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canSAR1864076
FEATURES
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NAMES
    SMILES
    Cc1cccc(OCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1
    InChI
    InChI=1S/C21H23N3O4S/c1-14-6-5-9-17(10-14)27-13-19(26)28-12-16-11-18(25)24-21(22-16)29-20(23-24)15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8,12-13H2,1H3
    MOLECULAR FORMULA
    C21H23N3O4S
    CROSS REFERENCES
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    canSAR1864076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.14
    AlogP 3.63
    HBond donors 0
    HBond acceptors 7
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864076.