651006 logo
canSAR651006
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1
    InChI
    InChI=1S/C21H12Cl2F6N4O/c22-15-5-2-6-16(23)14(15)10-30-33-19(34)13-7-8-17(21(27,28)29)32-18(13)31-12-4-1-3-11(9-12)20(24,25)26/h1-10H,(H,31,32)(H,33,34)/b30-10+
    MOLECULAR FORMULA
    C21H12Cl2F6N4O
    CROSS REFERENCES
    651006 logo

    canSAR651006

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.03
    AlogP 6.93
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR651006.