1061867 logo
canSAR1061867
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1
    InChI
    InChI=1S/C23H20N4O5/c28-21(17-5-2-1-3-6-17)19-20(16-7-9-18(10-8-16)27(31)32)26(23(30)22(19)29)13-4-12-25-14-11-24-15-25/h1-3,5-11,14-15,20,29H,4,12-13H2
    MOLECULAR FORMULA
    C23H20N4O5
    CROSS REFERENCES
    1061867 logo

    canSAR1061867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.14
    AlogP 3.46
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061867.