1093308 logo
canSAR1093308
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(NC(=O)Nc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C18H22N8O5/c1-25(24-18(30)21-9-5-3-2-4-6-9)17-22-14(19)11-15(23-17)26(8-20-11)16-13(29)12(28)10(7-27)31-16/h2-6,8,10,12-13,16,27-29H,7H2,1H3,(H2,19,22,23)(H2,21,24,30)/t10-,12-,13-,16-/m1/s1
    MOLECULAR FORMULA
    C18H22N8O5
    CROSS REFERENCES
    1093308 logo

    canSAR1093308

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.17
    AlogP -0.81
    HBond donors 7
    HBond acceptors 13
    Atoms 53
    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 canSAR1093308.