canSAR1650410
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.[Cl-]
    InChI
    InChI=1S/C34H46BN3O5S.ClH/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);1H/p-1/t23-,25-,28-,29+,30-,34-;/m0./s1
    MOLECULAR FORMULA
    C34H46BClN3O5S-
    CROSS REFERENCES
    Loading...
    canSAR1650410
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight654.29
    AlogP2.34
    HBond donors3
    HBond acceptors8
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650410.