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canSAR168910
FEATURES
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NAMES
    SMILES
    CC(CC(=O)OCC1(CO)C/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)O1)CC(C)(C)C
    InChI
    InChI=1S/C29H33F3O5/c1-19(15-27(2,3)4)13-25(34)36-18-28(17-33)16-23(26(35)37-28)14-20-5-7-21(8-6-20)22-9-11-24(12-10-22)29(30,31)32/h5-12,14,19,33H,13,15-18H2,1-4H3/b23-14-
    MOLECULAR FORMULA
    C29H33F3O5
    CROSS REFERENCES
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    canSAR168910

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.23
    AlogP 6.44
    HBond donors 1
    HBond acceptors 5
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR168910.