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canSAR919348
FEATURES
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCC(=O)OC(C)(C)C)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C28H44O4/c1-18(9-14-26(31)32-27(3,4)5)23-12-13-24-20(8-7-15-28(23,24)6)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,7-9,12-17H2,1,3-6H3/b20-10+,21-11-/t18-,22-,23-,24?,25+,28-/m1/s1
    MOLECULAR FORMULA
    C28H44O4
    CROSS REFERENCES
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    canSAR919348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.32
    AlogP 5.89
    HBond donors 2
    HBond acceptors 4
    Atoms 76
    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 canSAR919348.