General Information of the Compound
Compound ID
CP0246350
Compound Name
2-[3-(3-methoxyphenyl)phenyl]-2,5-dimethylimidazol-4-amine
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Structure
Formula
C18H19N3O
Molecular Weight
293.37
Canonical SMILES
COc1cccc(c1)-c1cccc(c1)C1(C)N=C(C)C(N)=N1
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InChI
InChI=1S/C18H19N3O/c1-12-17(19)21-18(2,20-12)15-8-4-6-13(10-15)14-7-5-9-16(11-14)22-3/h4-11H,1-3H3,(H2,19,21)
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InChIKey
BEYGOLPVUQKUTI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3666
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
59.97
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 49869035
SID: 104543969
ChEMBL ID
CHEMBL2180018
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 = 2200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3500 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 = 16700 nM
   TI
   LI
   LO
   TS