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canSAR1408092
FEATURES
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NAMES
    SMILES
    C=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)C2CCC3[C@@H](C)CCCC)C[C@H]1O
    InChI
    InChI=1S/C25H40O2/c1-5-6-8-17(2)21-12-13-22-20(9-7-14-25(21,22)4)11-10-19-15-23(26)18(3)24(27)16-19/h10-11,17,21-24,26-27H,3,5-9,12-16H2,1-2,4H3/b20-11+/t17-,21?,22?,23+,24+,25+/m0/s1
    MOLECULAR FORMULA
    C25H40O2
    CROSS REFERENCES
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    canSAR1408092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.30
    AlogP 5.95
    HBond donors 2
    HBond acceptors 2
    Atoms 67
    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 canSAR1408092.