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canSAR1861332
FEATURES
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NAMES
    SMILES
    O=C(O)c1cc(C(=O)O)cc(-c2ccc(CC3SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1
    InChI
    InChI=1S/C23H15NO8S2/c25-20-19(34-23(33)24(20)14-1-3-17-18(8-14)31-10-30-17)9-15-2-4-16(32-15)11-5-12(21(26)27)7-13(6-11)22(28)29/h1-8,19H,9-10H2,(H,26,27)(H,28,29)
    MOLECULAR FORMULA
    C23H15NO8S2
    CROSS REFERENCES
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    canSAR1861332

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.02
    AlogP 4.05
    HBond donors 2
    HBond acceptors 9
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1861332.