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canSAR743424
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cccc(OS(=O)(=O)O)c1
    InChI
    InChI=1S/C36H54O4S/c1-29(2)14-8-15-30(3)16-9-17-31(4)18-10-19-32(5)20-11-21-33(6)22-12-23-34(7)26-27-35-24-13-25-36(28-35)40-41(37,38)39/h13-14,16,18,20,22,24-26,28H,8-12,15,17,19,21,23,27H2,1-7H3,(H,37,38,39)/b30-16+,31-18+,32-20+,33-22+,34-26+
    MOLECULAR FORMULA
    C36H54O4S
    CROSS REFERENCES
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    canSAR743424

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.37
    AlogP 11.01
    HBond donors 1
    HBond acceptors 4
    Atoms 95
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR743424.