canSAR1141302
FEATURES
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NAMES
    SMILES
    O=C(O)CCCCCNS(=O)(=O)/C=C/c1ccc(NC(=O)[C@H]2CC[C@H](C(C(=O)O)C(=O)O)CC2)cc1
    InChI
    InChI=1S/C24H32N2O9S/c27-20(28)4-2-1-3-14-25-36(34,35)15-13-16-5-11-19(12-6-16)26-22(29)18-9-7-17(8-10-18)21(23(30)31)24(32)33/h5-6,11-13,15,17-18,21,25H,1-4,7-10,14H2,(H,26,29)(H,27,28)(H,30,31)(H,32,33)/b15-13+/t17-,18-
    MOLECULAR FORMULA
    C24H32N2O9S
    CROSS REFERENCES
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    canSAR1141302
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight524.18
    AlogP2.75
    HBond donors5
    HBond acceptors11
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1141302.