General Information of the Compound
Compound ID
CP0071354
Compound Name
2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
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Structure
Formula
C24H24N4O3
Molecular Weight
416.481
Canonical SMILES
CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
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InChI
InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27)
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InChIKey
DXWZHAPHEZJJSL-UHFFFAOYSA-N
Physicochemical Property
logP
3.1862
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
90.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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).

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PubChem ID
CID: 11611402
SID: 16714274
ChEMBL ID
CHEMBL566406
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 520 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM