659227 logo
canSAR659227
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NC1(C(F)(F)F)CC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Br)cc2)c1Cn1cncn1
    InChI
    InChI=1S/C23H17BrClF3N6O/c24-15-7-5-14(6-8-15)20-16(11-33-13-29-12-30-33)19(21(35)31-22(9-10-22)23(26,27)28)32-34(20)18-4-2-1-3-17(18)25/h1-8,12-13H,9-11H2,(H,31,35)
    MOLECULAR FORMULA
    C23H17BrClF3N6O
    CROSS REFERENCES
    659227 logo

    canSAR659227

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.03
    AlogP 5.42
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR659227.