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canSAR14036
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)/C=C/c1ccc3ccccc3c1)[C@@]1(C)C(=O)[C@H](OC(=O)/C=C/c3ccc4ccccc4c3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
    InChI
    InChI=1S/C55H52O12/c1-32-41(57)30-55(62)50(66-51(61)38-15-7-6-8-16-38)48-53(5,49(60)47(46(32)52(55,3)4)65-45(59)26-22-35-20-24-37-14-10-12-18-40(37)28-35)42(29-43-54(48,31-63-43)67-33(2)56)64-44(58)25-21-34-19-23-36-13-9-11-17-39(36)27-34/h6-28,41-43,47-48,50,57,62H,29-31H2,1-5H3/b25-21+,26-22+/t41-,42-,43+,47+,48-,50-,53+,54-,55+/m0/s1
    MOLECULAR FORMULA
    C55H52O12
    CROSS REFERENCES
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    canSAR14036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 904.35
    AlogP 7.92
    HBond donors 2
    HBond acceptors 12
    Atoms 119
    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 canSAR14036.