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canSAR172316
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C21H18O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-18,23H,7-8H2,1-2H3/t12-,17+,18-/m0/s1
    MOLECULAR FORMULA
    C21H18O8
    CROSS REFERENCES
    172316 logo

    canSAR172316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.10
    AlogP 2.26
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR172316.