1433382 logo
canSAR1433382
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    [BH3-][P@](=O)(OC[C@H]1O[C@@H](n2c[n+](C)c3c([O-])nc(N)nc32)[C@H](O)[C@@H]1O)OP(=O)([O-])CP(=O)([O-])O[P@@]([BH3-])(=O)OC[C@H]1O[C@@H](n2c[n+](C)c3c([O-])nc(N)nc32)[C@H](O)[C@@H]1O.[NH4+].[NH4+].[NH4+].[NH4+]
    InChI
    InChI=1S/C23H40B2N10O18P4.4H3N/c1-32-5-34(16-10(32)18(40)30-22(26)28-16)20-14(38)12(36)8(50-20)3-48-56(24,46)52-54(42,43)7-55(44,45)53-57(25,47)49-4-9-13(37)15(39)21(51-9)35-6-33(2)11-17(35)29-23(27)31-19(11)41;;;;/h5-6,8-9,12-15,20-21,36-39H,3-4,7H2,1-2,24-25H3,(H,42,43)(H,44,45)(H3,26,28,30,40)(H3,27,29,31,41);4*1H3/t8-,9-,12-,13-,14-,15-,20-,21-,56+,57+;;;;/m1..../s1
    MOLECULAR FORMULA
    C23H52B2N14O18P4
    CROSS REFERENCES
    1433382 logo

    canSAR1433382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 958.27
    AlogP -6.34
    HBond donors 24
    HBond acceptors 32
    Atoms 113
    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 canSAR1433382.