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canSAR922072
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
    InChI
    InChI=1S/C37H56O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(42)44-34-26-29-30(39)24-28(38)25-33(29)45-37(34)27-22-31(40)36(43)32(41)23-27/h22-25,34,37-41,43H,2-21,26H2,1H3/t34-,37-/m1/s1
    MOLECULAR FORMULA
    C37H56O8
    CROSS REFERENCES
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    canSAR922072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.40
    AlogP 9.62
    HBond donors 5
    HBond acceptors 8
    Atoms 101
    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 canSAR922072.