195683 logo
canSAR195683
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])cc2c1=O
    InChI
    InChI=1S/C22H20N4O7/c27-20-14-10-18(26(31)32)17(11-16(14)25(13-3-4-13)12-15(20)22(29)30)23-5-7-24(8-6-23)21(28)19-2-1-9-33-19/h1-2,9-13H,3-8H2,(H,29,30)
    MOLECULAR FORMULA
    C22H20N4O7
    CROSS REFERENCES
    195683 logo

    canSAR195683

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.13
    AlogP 2.50
    HBond donors 1
    HBond acceptors 11
    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 canSAR195683.