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canSAR842703
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)O[C@]12CCC(C(=O)OC)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O
    InChI
    InChI=1S/C27H36O8/c1-5-6-7-10-21(28)34-27-17-12-19(23(31)33-4)11-15-26(27)16-13-20(27)25(3,35-24(26)32)14-8-9-18(2)22(29)30/h8-9,11,14,20H,5-7,10,12-13,15-17H2,1-4H3,(H,29,30)/b14-8+,18-9+/t20-,25+,26+,27-/m0/s1
    MOLECULAR FORMULA
    C27H36O8
    CROSS REFERENCES
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    canSAR842703

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.24
    AlogP 4.43
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    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 canSAR842703.