canSAR416733
FEATURES
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NAMES
    SMILES
    O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc(-c3ccccc3)[nH]c2c1
    InChI
    InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
    MOLECULAR FORMULA
    C28H32N2O4S
    CROSS REFERENCES
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    canSAR416733
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight492.21
    AlogP5.73
    HBond donors3
    HBond acceptors6
    Atoms67
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR416733.