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canSAR343849
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NAMES
    SMILES
    CC(C)C(Oc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
    InChI
    InChI=1S/C30H29NO5S2/c1-20(2)28(23-11-7-4-8-12-23)36-25-17-22(18-26-29(34)31(19-27(32)33)30(37)38-26)13-14-24(25)35-16-15-21-9-5-3-6-10-21/h3-14,17-18,20,28H,15-16,19H2,1-2H3,(H,32,33)/b26-18-
    MOLECULAR FORMULA
    C30H29NO5S2
    CROSS REFERENCES
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    canSAR343849

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.15
    AlogP 6.37
    HBond donors 1
    HBond acceptors 6
    Atoms 67
    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 canSAR343849.