General Information of the Compound
Compound ID
CP0038379
Compound Name
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-ethylphenyl)-1-methyl-1H-imidazol-5(4H)-one
    Show/Hide
Structure
Formula
C19H19F2N3O2
Molecular Weight
359.376
Canonical SMILES
CCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
    Show/Hide
InChI
InChI=1S/C19H19F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h4-11,17H,3H2,1-2H3,(H2,22,23)/t19-/m1/s1
    Show/Hide
InChIKey
NZFUCYDGINQVLA-LJQANCHMSA-N
Physicochemical Property
logP
2.8807
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
67.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 52947147
ChEMBL ID
CHEMBL1269919
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 = 1120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 900 nM