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canSAR785729
FEATURES
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NAMES
    SMILES
    C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@H]2O[C@@H]2C(=O)O1
    InChI
    InChI=1S/C26H28O5/c1-13(19-12-20-23(29-20)24(28)30-19)14-5-7-16-15(10-14)6-8-18-17(16)11-22-26(31-22)9-3-4-21(27)25(18,26)2/h3-5,7,10,13,17-20,22-23H,6,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,20-,22-,23-,25-,26-/m0/s1
    MOLECULAR FORMULA
    C26H28O5
    CROSS REFERENCES
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    canSAR785729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.19
    AlogP 3.60
    HBond donors 0
    HBond acceptors 5
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR785729.