779207 logo
canSAR779207
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1nc(N2CCN3C[C@@H](CNc4ncccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C21H25N11O/c22-18-27-20(28-21-26-17(29-32(18)21)16-3-1-10-33-16)31-9-8-30-12-14(4-5-15(30)13-31)11-25-19-23-6-2-7-24-19/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H,23,24,25)(H2,22,26,27,28,29)/t14-,15+/m1/s1
    MOLECULAR FORMULA
    C21H25N11O
    CROSS REFERENCES
    779207 logo

    canSAR779207

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.22
    AlogP 1.16
    HBond donors 3
    HBond acceptors 12
    Atoms 58
    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 canSAR779207.