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canSAR831074
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C/C=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
    InChI
    InChI=1S/C29H31F13O2/c1-22-13-9-19-18-8-6-17(44-2)15-16(18)5-7-20(19)21(22)10-14-23(22,43)11-3-4-12-24(30,31)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)42/h3-4,6,8,15,19-21,43H,5,7,9-14H2,1-2H3/b4-3+/t19-,20-,21+,22+,23+/m1/s1
    MOLECULAR FORMULA
    C29H31F13O2
    CROSS REFERENCES
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    canSAR831074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 658.21
    AlogP 9.36
    HBond donors 1
    HBond acceptors 2
    Atoms 75
    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 canSAR831074.