831985 logo
canSAR831985
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
    InChI
    InChI=1S/C18H21N7O7/c26-6-9-12(27)13(28)16(32-9)24-7-19-11-14(21-10-2-1-3-31-10)22-18(23-15(11)24)25-5-8(4-20-25)17(29)30/h4-5,7,9-10,12-13,16,26-28H,1-3,6H2,(H,29,30)(H,21,22,23)/t9-,10-,12-,13-,16-/m1/s1
    MOLECULAR FORMULA
    C18H21N7O7
    CROSS REFERENCES
    831985 logo

    canSAR831985

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.15
    AlogP -1.13
    HBond donors 5
    HBond acceptors 14
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831985.