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canSAR558131
FEATURES
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NAMES
    SMILES
    CC(C)C(CP(=O)(O)C(Cc1ccccc1)NC(=O)[C@H](CCCCN)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C32H46N5O8PS/c1-21(2)25(30(38)35-28(32(40)41)18-23-19-34-26-14-8-7-13-24(23)26)20-46(42,43)29(17-22-11-5-4-6-12-22)36-31(39)27(15-9-10-16-33)37-47(3,44)45/h4-8,11-14,19,21,25,27-29,34,37H,9-10,15-18,20,33H2,1-3H3,(H,35,38)(H,36,39)(H,40,41)(H,42,43)/t25?,27-,28-,29?/m0/s1
    MOLECULAR FORMULA
    C32H46N5O8PS
    CROSS REFERENCES
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    canSAR558131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 691.28
    AlogP 2.55
    HBond donors 8
    HBond acceptors 13
    Atoms 93
    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 canSAR558131.