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canSAR840001
FEATURES
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NAMES
    SMILES
    C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C(=O)O
    InChI
    InChI=1S/C17H26O4/c1-11-4-6-13-16(2,12(11)5-7-15(20)21)9-8-14(19)17(13,3)10-18/h5,7,12-14,18-19H,1,4,6,8-10H2,2-3H3,(H,20,21)/b7-5+/t12-,13+,14-,16+,17+/m1/s1
    MOLECULAR FORMULA
    C17H26O4
    CROSS REFERENCES
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    canSAR840001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 294.18
    AlogP 2.37
    HBond donors 3
    HBond acceptors 4
    Atoms 47
    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 canSAR840001.