1201035 logo
canSAR1201035
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(C(=O)N/N=C(/Cn2c([N+](=O)[O-])cnc2C)c2ccc(Br)cc2)cc1
    InChI
    InChI=1S/C20H18BrN5O3/c1-13-3-5-16(6-4-13)20(27)24-23-18(15-7-9-17(21)10-8-15)12-25-14(2)22-11-19(25)26(28)29/h3-11H,12H2,1-2H3,(H,24,27)/b23-18-
    MOLECULAR FORMULA
    C20H18BrN5O3
    CROSS REFERENCES
    1201035 logo

    canSAR1201035

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.06
    AlogP 4.00
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1201035.