canSAR545650
FEATURES
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NAMES
    SMILES
    Cl.O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc(C1(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3cccc(O)c3C(=O)c3c(O)cc(CO)cc31)c2O
    InChI
    InChI=1S/C36H30O14.ClH/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42;/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2;1H/t23-,30-,33+,34-,35?,36?;/m1./s1
    MOLECULAR FORMULA
    C36H31ClO14
    CROSS REFERENCES
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    canSAR545650
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight722.14
    AlogP0.41
    HBond donors10
    HBond acceptors14
    Atoms82
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545650.