canSAR2168849
FEATURES
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NAMES
    SMILES
    CCN1CC(C(=O)NCC2CCc3cnc(-c4ccc(Cl)c(Cl)c4)n3C2)=C(O)C1=O
    InChI
    InChI=1S/C21H22Cl2N4O3/c1-2-26-11-15(18(28)21(26)30)20(29)25-8-12-3-5-14-9-24-19(27(14)10-12)13-4-6-16(22)17(23)7-13/h4,6-7,9,12,28H,2-3,5,8,10-11H2,1H3,(H,25,29)
    MOLECULAR FORMULA
    C21H22Cl2N4O3
    CROSS REFERENCES
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    canSAR2168849
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight448.11
    AlogP3.21
    HBond donors2
    HBond acceptors7
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168849.