General Information of the Compound
Compound ID
CP0208245
Compound Name
2-(4-methoxyphenyl)-5-propan-2-yl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
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Structure
Formula
C23H23N5O
Molecular Weight
385.471
Canonical SMILES
COc1ccc(cc1)C1(N=C(N)C(=N1)C(C)C)c1cccc(c1)-c1cncnc1
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InChI
InChI=1S/C23H23N5O/c1-15(2)21-22(24)28-23(27-21,18-7-9-20(29-3)10-8-18)19-6-4-5-16(11-19)17-12-25-14-26-13-17/h4-15H,1-3H3,(H2,24,28)
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InChIKey
SFBOKXSMKXLXQE-UHFFFAOYSA-N
Physicochemical Property
logP
3.8211
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
85.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 71459167
SID: 163473077
ChEMBL ID
CHEMBL2180021
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 = 2800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2100 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 = 26800 nM
   TI
   LI
   LO
   TS