1121644 logo
canSAR1121644
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cn1nnc(-c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](Cn5ccnn5)OC(=O)N43)cn2)n1
    InChI
    InChI=1S/C20H17N9O3/c1-27-24-19(23-26-27)14-4-2-13(9-21-14)12-3-5-15-17(8-12)31-11-16-18(32-20(30)29(15)16)10-28-7-6-22-25-28/h2-9,16,18H,10-11H2,1H3/t16-,18-/m0/s1
    MOLECULAR FORMULA
    C20H17N9O3
    CROSS REFERENCES
    1121644 logo

    canSAR1121644

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.15
    AlogP 1.32
    HBond donors 0
    HBond acceptors 12
    Atoms 49
    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 canSAR1121644.