canSAR728803
FEATURES
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NAMES
    SMILES
    O=C(OCC#CCCCCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
    InChI
    InChI=1S/C35H26O6S/c36-33-29-15-9-10-16-30(29)34(37)32-24-27(18-20-31(32)33)35(38)41-21-11-5-3-1-2-4-6-12-22-42(39,40)28-19-17-25-13-7-8-14-26(25)23-28/h7-10,13-20,23-24H,1-4,21-22H2
    MOLECULAR FORMULA
    C35H26O6S
    CROSS REFERENCES
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    canSAR728803
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight574.15
    AlogP5.81
    HBond donors0
    HBond acceptors6
    Atoms68
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR728803.