General Information of the Compound
Compound ID
CP0487940
Compound Name
2-methyl-5-propan-2-yl-2-(3-pyridin-3-ylphenyl)imidazol-4-amine
    Show/Hide
Structure
Formula
C18H20N4
Molecular Weight
292.386
Canonical SMILES
CC(C)C1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1
    Show/Hide
InChI
InChI=1S/C18H20N4/c1-12(2)16-17(19)22-18(3,21-16)15-8-4-6-13(10-15)14-7-5-9-20-11-14/h4-12H,1-3H3,(H2,19,22)
    Show/Hide
InChIKey
ZDXVBHMGBXHWOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.3891
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
63.63
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71459165
SID: 163473075
ChEMBL ID
CHEMBL2180017
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 = 32000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 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