General Information of the Compound
Compound ID
CP0288118
Compound Name
(R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
    Show/Hide
Structure
Formula
C19H16F5N3O3
Molecular Weight
429.345
Canonical SMILES
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCC(F)F)c1
    Show/Hide
InChI
InChI=1S/C19H16F5N3O3/c1-27-16(28)19(26-18(27)25,10-2-5-12(6-3-10)30-17(23)24)11-4-7-13(20)14(8-11)29-9-15(21)22/h2-8,15,17H,9H2,1H3,(H2,25,26)/t19-/m1/s1
    Show/Hide
InChIKey
KIAGCWNNPCJGFV-LJQANCHMSA-N
Physicochemical Property
logP
3.1013
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
77.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 52946545
ChEMBL ID
CHEMBL1270339
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 70 nM