General Information of the Compound
Compound ID
CP0239141
Compound Name
2-cyclohexyl-5-methyl-2-(3-pyridin-3-ylphenyl)imidazol-4-amine
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Structure
Formula
C21H24N4
Molecular Weight
332.451
Canonical SMILES
CC1=NC(N=C1N)(C1CCCCC1)c1cccc(c1)-c1cccnc1
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InChI
InChI=1S/C21H24N4/c1-15-20(22)25-21(24-15,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-23-14-17/h5-8,11-14,18H,2-4,9-10H2,1H3,(H2,22,25)
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InChIKey
LQZWYEXWILDROH-UHFFFAOYSA-N
Physicochemical Property
logP
4.3134
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
63.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 49869040
SID: 104543974
ChEMBL ID
CHEMBL2180034
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 = 660 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1400 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 = 28800 nM
   TI
   LI
   LO
   TS