561051 logo
canSAR561051
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1
    InChI
    InChI=1S/C19H20ClN3O4/c20-16-4-6-18(7-5-16)27-14-19(24)22-10-8-21(9-11-22)13-15-2-1-3-17(12-15)23(25)26/h1-7,12H,8-11,13-14H2
    MOLECULAR FORMULA
    C19H20ClN3O4
    CROSS REFERENCES
    561051 logo

    canSAR561051

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.11
    AlogP 2.97
    HBond donors 0
    HBond acceptors 7
    Atoms 47
    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 canSAR561051.