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canSAR840249
FEATURES
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NAMES
    SMILES
    CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(SCCO)C1=O
    InChI
    InChI=1S/C23H32O3S/c1-15-6-5-7-20-22(15,3)9-8-16(2)23(20,4)14-17-12-18(25)13-19(21(17)26)27-11-10-24/h6,12-13,16,20,24H,5,7-11,14H2,1-4H3/t16-,20+,22+,23+/m0/s1
    MOLECULAR FORMULA
    C23H32O3S
    CROSS REFERENCES
    840249 logo

    canSAR840249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.21
    AlogP 4.86
    HBond donors 1
    HBond acceptors 3
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR840249.