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canSAR1271234
FEATURES
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NAMES
    SMILES
    C[C@@H](CCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCCC21C
    InChI
    InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,23?,24?,25+,26+,28?/m0/s1
    MOLECULAR FORMULA
    C28H45FO3
    CROSS REFERENCES
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    canSAR1271234

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.34
    AlogP 6.04
    HBond donors 3
    HBond acceptors 3
    Atoms 77
    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 canSAR1271234.