83220 logo
canSAR83220
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    [N-]=[N+]=N[C@@H]1C[C@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1CO
    InChI
    InChI=1S/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)/t4-,5-,6-/m1/s1
    MOLECULAR FORMULA
    C10H13N9O2
    CROSS REFERENCES
    83220 logo

    canSAR83220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 291.12
    AlogP -0.05
    HBond donors 5
    HBond acceptors 11
    Atoms 34
    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 canSAR83220.