1127440 logo
canSAR1127440
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N=c1n(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2n1CC(=O)N/N=C/c1ccc(F)cc1
    InChI
    InChI=1S/C25H20F2N8O4/c26-18-5-1-16(2-6-18)12-29-31-23(36)14-33-21-10-9-20(35(38)39)11-22(21)34(25(33)28)15-24(37)32-30-13-17-3-7-19(27)8-4-17/h1-13,28H,14-15H2,(H,31,36)(H,32,37)/b28-25?,29-12+,30-13+
    MOLECULAR FORMULA
    C25H20F2N8O4
    CROSS REFERENCES
    1127440 logo

    canSAR1127440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.16
    AlogP 2.41
    HBond donors 3
    HBond acceptors 12
    Atoms 59
    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 canSAR1127440.