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canSAR1156587
FEATURES
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NAMES
    SMILES
    COc1cc2c3c(n(C[C@@H](O)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2
    InChI
    InChI=1S/C22H19NO8/c1-28-15-3-11-14(6-16(15)29-2)22(27)23(7-10(25)8-24)20-12-4-17-18(31-9-30-17)5-13(12)21(26)19(11)20/h3-6,10,24-25H,7-9H2,1-2H3/t10-/m1/s1
    MOLECULAR FORMULA
    C22H19NO8
    CROSS REFERENCES
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    canSAR1156587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.11
    AlogP 1.31
    HBond donors 2
    HBond acceptors 9
    Atoms 50
    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 canSAR1156587.