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canSAR832098
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C28H47FO3/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,31-32H,7-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
    MOLECULAR FORMULA
    C28H47FO3
    CROSS REFERENCES
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    canSAR832098

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.35
    AlogP 5.81
    HBond donors 2
    HBond acceptors 3
    Atoms 79
    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 canSAR832098.