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canSAR1859236
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2C1c1ccc(OC)cc1OC
    InChI
    InChI=1S/C25H23N3O8S/c1-5-36-24(31)20-13(2)26-25-27(21(20)16-10-9-15(34-3)12-18(16)35-4)23(30)19(37-25)11-14-7-6-8-17(22(14)29)28(32)33/h6-12,21,29H,5H2,1-4H3/b19-11+
    MOLECULAR FORMULA
    C25H23N3O8S
    CROSS REFERENCES
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    canSAR1859236

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.12
    AlogP 2.43
    HBond donors 1
    HBond acceptors 11
    Atoms 60
    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 canSAR1859236.