652386 logo
canSAR652386
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cc(Br)cc(Br)c1O
    InChI
    InChI=1S/C21H18Br2N2O3/c22-16-10-15(20(27)19(23)11-16)13-25(12-14-6-8-18(26)9-7-14)21(28)24-17-4-2-1-3-5-17/h1-11,26-27H,12-13H2,(H,24,28)
    MOLECULAR FORMULA
    C21H18Br2N2O3
    CROSS REFERENCES
    652386 logo

    canSAR652386

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.97
    AlogP 5.86
    HBond donors 3
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR652386.