canSAR1746750
FEATURES
Loading...
NAMES
    SMILES
    CC(C)CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C21H26N6O8S/c1-11(2)7-22-18-15-19(24-9-23-18)27(10-25-15)21-17(30)16(29)14(35-21)8-34-36(32,33)26-20(31)12-5-3-4-6-13(12)28/h3-6,9-11,14,16-17,21,29-30H,7-8H2,1-2H3,(H3,22,23,24,26,28,31)/p-1/t14-,16-,17-,21-/m1/s1
    MOLECULAR FORMULA
    C21H25N6O8S-
    CROSS REFERENCES
    Loading...
    canSAR1746750
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.15
    AlogP0.69
    HBond donors4
    HBond acceptors14
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746750.