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canSAR1029225
FEATURES
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NAMES
    SMILES
    COCCNC=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/C33H44N4O9S/c1-21(2)18-37(47(41,42)23-9-10-27-25(16-23)26(31(39)35-27)17-34-12-14-43-3)19-29(38)28(15-22-7-5-4-6-8-22)36-33(40)46-30-20-45-32-24(30)11-13-44-32/h4-10,16-17,21,24,28-30,32,34,38H,11-15,18-20H2,1-3H3,(H,35,39)(H,36,40)/t24-,28-,29+,30-,32+/m0/s1
    MOLECULAR FORMULA
    C33H44N4O9S
    CROSS REFERENCES
    1029225 logo

    canSAR1029225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.28
    AlogP 2.32
    HBond donors 4
    HBond acceptors 13
    Atoms 91
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1029225.