General Information of the Compound
Compound ID
CP0210692
Compound Name
2-(4-methoxy-3-methylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
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Structure
Formula
C22H21N5O
Molecular Weight
371.444
Canonical SMILES
COc1ccc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1
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InChI
InChI=1S/C22H21N5O/c1-14-9-19(7-8-20(14)28-3)22(26-15(2)21(23)27-22)18-6-4-5-16(10-18)17-11-24-13-25-12-17/h4-13H,1-3H3,(H2,23,27)
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InChIKey
GWWAWENWSRQRAM-UHFFFAOYSA-N
Physicochemical Property
logP
3.49342
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
85.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 49855886
SID: 104228917
ChEMBL ID
CHEMBL2180027
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
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 97 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 33000 nM
   TI
   LI
   LO
   TS