canSAR1087211
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)NO)ccc1OC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC2(CN1C(=O)OC(C)(C)C)SCCS2
    InChI
    InChI=1S/C33H40N4O7S2/c1-32(2,3)44-31(40)37-20-33(45-13-14-46-33)17-26(37)30(39)35-23(16-22-18-34-25-8-6-5-7-24(22)25)19-43-27-11-9-21(15-28(27)42-4)10-12-29(38)36-41/h5-12,15,18,23,26,34,41H,13-14,16-17,19-20H2,1-4H3,(H,35,39)(H,36,38)/b12-10+/t23-,26-/m0/s1
    MOLECULAR FORMULA
    C33H40N4O7S2
    CROSS REFERENCES
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    canSAR1087211
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight668.23
    AlogP4.99
    HBond donors4
    HBond acceptors11
    Atoms86
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087211.