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canSAR984260
FEATURES
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NAMES
    SMILES
    Cc1ccc(CCC(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)CCc3ccc(C)cc3)[C@@H](O)[C@H]2O)cc1
    InChI
    InChI=1S/C41H40O14/c1-21-3-7-23(8-4-21)11-15-32(46)51-20-31-35(48)37(50)40(54-33(47)16-12-24-9-5-22(2)6-10-24)41(53-31)55-39-36(49)34-29(45)18-26(42)19-30(34)52-38(39)25-13-14-27(43)28(44)17-25/h3-10,13-14,17-19,31,35,37,40-45,48,50H,11-12,15-16,20H2,1-2H3/t31-,35+,37+,40-,41+/m1/s1
    MOLECULAR FORMULA
    C41H40O14
    CROSS REFERENCES
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    canSAR984260

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 756.24
    AlogP 4.45
    HBond donors 6
    HBond acceptors 14
    Atoms 95
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR984260.