canSAR857364
FEATURES
Loading...
NAMES
    SMILES
    COc1ccccc1Sc1cccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c1
    InChI
    InChI=1S/C34H46BN3O5S/c1-33(2)23-20-28(33)34(3)29(21-23)42-35(43-34)30(16-7-8-17-36)37-31(39)25-13-10-18-38(25)32(40)22-11-9-12-24(19-22)44-27-15-6-5-14-26(27)41-4/h5-6,9,11-12,14-15,19,23,25,28-30H,7-8,10,13,16-18,20-21,36H2,1-4H3,(H,37,39)/t23-,25-,28-,29+,30-,34-/m0/s1
    MOLECULAR FORMULA
    C34H46BN3O5S
    CROSS REFERENCES
    Loading...
    canSAR857364
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight619.33
    AlogP5.33
    HBond donors3
    HBond acceptors8
    Atoms90
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857364.