830940 logo
canSAR830940
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)Cc1ccccc1/N=N/c1ccc(O)c(C(=O)O)c1
    InChI
    InChI=1S/C36H38N2O9/c1-34-13-11-23(39)16-21(34)7-9-24-26-12-14-36(46,35(26,2)18-29(41)32(24)34)30(42)19-47-31(43)15-20-5-3-4-6-27(20)38-37-22-8-10-28(40)25(17-22)33(44)45/h3-6,8,10-11,13,16-17,24,26,29,32,40-41,46H,7,9,12,14-15,18-19H2,1-2H3,(H,44,45)/b38-37+/t24-,26-,29-,32+,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C36H38N2O9
    CROSS REFERENCES
    830940 logo

    canSAR830940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.26
    AlogP 5.17
    HBond donors 4
    HBond acceptors 11
    Atoms 85
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR830940.