canSAR733586
FEATURES
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NAMES
    SMILES
    O=C(OCC#CCCCCCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1cccc2cc3ccccc3cc12
    InChI
    InChI=1S/C36H30O4S/c37-36(34-20-14-19-32-25-29-16-10-11-18-31(29)27-35(32)34)40-23-12-6-4-2-1-3-5-7-13-24-41(38,39)33-22-21-28-15-8-9-17-30(28)26-33/h8-11,14-22,25-27H,1-5,23-24H2
    MOLECULAR FORMULA
    C36H30O4S
    CROSS REFERENCES
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    canSAR733586
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight558.19
    AlogP7.73
    HBond donors0
    HBond acceptors4
    Atoms71
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR733586.