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canSAR839235
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(SCC(=O)O)=CC1=O
    InChI
    InChI=1S/C23H30O4S/c1-14-6-5-7-20-22(14,3)9-8-15(2)23(20,4)12-16-10-18(25)19(11-17(16)24)28-13-21(26)27/h6,10-11,15,20H,5,7-9,12-13H2,1-4H3,(H,26,27)/t15-,20+,22+,23+/m0/s1
    MOLECULAR FORMULA
    C23H30O4S
    CROSS REFERENCES
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    canSAR839235

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.19
    AlogP 4.96
    HBond donors 1
    HBond acceptors 4
    Atoms 58
    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 canSAR839235.