canSAR1031215
FEATURES
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NAMES
    SMILES
    CCCNC=C1C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21
    InChI
    InChI=1S/C33H44N4O8S/c1-4-13-34-17-26-25-16-23(10-11-27(25)35-31(26)39)46(41,42)37(18-21(2)3)19-29(38)28(15-22-8-6-5-7-9-22)36-33(40)45-30-20-44-32-24(30)12-14-43-32/h5-11,16-17,21,24,28-30,32,34,38H,4,12-15,18-20H2,1-3H3,(H,35,39)(H,36,40)/t24-,28-,29+,30-,32+/m0/s1
    MOLECULAR FORMULA
    C33H44N4O8S
    CROSS REFERENCES
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    canSAR1031215
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight656.29
    AlogP3.09
    HBond donors4
    HBond acceptors12
    Atoms90
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1031215.