canSAR824322
FEATURES
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NAMES
    SMILES
    CCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3ccccc3C2)CN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
    InChI
    InChI=1S/C35H53BN4O8S/c1-9-12-28(36-47-27-16-23-15-26(34(23,5)6)35(27,7)48-36)37-30(41)25-17-24(46-32(43)39-18-21-13-10-11-14-22(21)19-39)20-40(25)31(42)29(33(2,3)4)38-49(8,44)45/h10-11,13-14,23-29,38H,9,12,15-20H2,1-8H3,(H,37,41)/t23-,24+,25-,26-,27+,28-,29+,35-/m0/s1
    MOLECULAR FORMULA
    C35H53BN4O8S
    CROSS REFERENCES
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    canSAR824322
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight700.37
    AlogP3.62
    HBond donors2
    HBond acceptors12
    Atoms102
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824322.