547147 logo
canSAR547147
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl.Cl
    InChI
    InChI=1S/C17H15Cl2NO4.ClH/c1-9(21)8-24-14-5-3-12(15(18)16(14)19)17(23)10-2-4-13(22)11(6-10)7-20;/h2-6,22H,7-8,20H2,1H3;1H
    MOLECULAR FORMULA
    C17H16Cl3NO4
    CROSS REFERENCES
    547147 logo

    canSAR547147

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.01
    AlogP 3.78
    HBond donors 3
    HBond acceptors 5
    Atoms 41
    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 canSAR547147.