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canSAR1860651
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1=C(Nc2ccc(OCC)cc2)S/C(=C\c2ccc(OCC(=O)O)c(OC)c2)C1=O
    InChI
    InChI=1S/C25H25NO8S/c1-4-32-17-9-7-16(8-10-17)26-24-22(25(30)33-5-2)23(29)20(35-24)13-15-6-11-18(19(12-15)31-3)34-14-21(27)28/h6-13,26H,4-5,14H2,1-3H3,(H,27,28)/b20-13-
    MOLECULAR FORMULA
    C25H25NO8S
    CROSS REFERENCES
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    canSAR1860651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.13
    AlogP 4.10
    HBond donors 2
    HBond acceptors 9
    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 canSAR1860651.