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canSAR1691177
FEATURES
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NAMES
    SMILES
    CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)C=Cc4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)cc1O
    InChI
    InChI=1S/C40H38O8/c1-22(2)4-14-29-35(45)20-26(21-36(29)46)39(47)37-31(25-8-12-28(42)13-9-25)18-23(3)19-32(37)38-34(44)17-15-30(40(38)48)33(43)16-7-24-5-10-27(41)11-6-24/h4-13,15-17,19-21,31-32,37,41-42,44-46,48H,14,18H2,1-3H3/t31-,32+,37-/m1/s1
    MOLECULAR FORMULA
    C40H38O8
    CROSS REFERENCES
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    canSAR1691177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 646.26
    AlogP 8.04
    HBond donors 6
    HBond acceptors 8
    Atoms 86
    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 canSAR1691177.