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canSAR1033214
FEATURES
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NAMES
    SMILES
    CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)C(=CNCCO)C(=O)N2
    InChI
    InChI=1S/C32H42N4O9S/c1-20(2)17-36(46(41,42)22-8-9-26-24(15-22)25(30(39)34-26)16-33-11-12-37)18-28(38)27(14-21-6-4-3-5-7-21)35-32(40)45-29-19-44-31-23(29)10-13-43-31/h3-9,15-16,20,23,27-29,31,33,37-38H,10-14,17-19H2,1-2H3,(H,34,39)(H,35,40)/t23-,27-,28+,29-,31+/m0/s1
    MOLECULAR FORMULA
    C32H42N4O9S
    CROSS REFERENCES
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    canSAR1033214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 658.27
    AlogP 1.67
    HBond donors 5
    HBond acceptors 13
    Atoms 88
    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 canSAR1033214.