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canSAR848235
FEATURES
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@H](O)[C@@]2(C)CO2)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C27H42O4/c1-17(7-12-25(30)27(4)16-31-27)22-10-11-23-19(6-5-13-26(22,23)3)8-9-20-14-21(28)15-24(29)18(20)2/h8-9,17,21-25,28-30H,2,5-7,10-16H2,1,3-4H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,25+,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H42O4
    CROSS REFERENCES
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    canSAR848235

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.31
    AlogP 4.69
    HBond donors 3
    HBond acceptors 4
    Atoms 73
    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 canSAR848235.