canSAR856931
FEATURES
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NAMES
    SMILES
    CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3Cc3ccccc3)O[C@@H]1C2.Cl
    InChI
    InChI=1S/C34H46BN3O4.ClH/c1-33(2)25-21-28(33)34(3)29(22-25)41-35(42-34)30(17-9-10-18-36)37-31(39)27-16-11-19-38(27)32(40)26-15-8-7-14-24(26)20-23-12-5-4-6-13-23;/h4-8,12-15,25,27-30H,9-11,16-22,36H2,1-3H3,(H,37,39);1H/t25-,27-,28-,29+,30-,34-;/m0./s1
    MOLECULAR FORMULA
    C34H47BClN3O4
    CROSS REFERENCES
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    canSAR856931
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight607.33
    AlogP5.19
    HBond donors3
    HBond acceptors7
    Atoms90
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856931.