General Information of the Compound
Compound ID
CP0452282
Compound Name
6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline
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Synonyms
356559-20-1
6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline
6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline
6-[2-(1,1-DiMethylethyl)-5-(6-Methyl-2-pyridinyl)-1H-iMidazol-4-yl]quinoxaline
6-[2-TERT-BUTYL-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL]-QUINOXALINE
6-[2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoxaline
AOB5969
C21H21N5
CHEBI:91391
CHEMBL401570
CTK4H5088
MLS006011134
QCR-68
SB 525334
SB-525334
SB525334
SCHEMBL10000768
SCHEMBL373474
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Structure
Formula
C21H21N5
Molecular Weight
343.434
Canonical SMILES
Cc1cccc(n1)-c1nc([nH]c1-c1ccc2nccnc2c1)C(C)(C)C
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InChI
InChI=1S/C21H21N5/c1-13-6-5-7-16(24-13)19-18(25-20(26-19)21(2,3)4)14-8-9-15-17(12-14)23-11-10-22-15/h5-12H,1-4H3,(H,25,26)
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InChIKey
DKPQHFZUICCZHF-UHFFFAOYSA-N
Physicochemical Property
logP
4.68782
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
67.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 9967941
SID: 103051370
ChEMBL ID
CHEMBL401570
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 5211.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01221, TGF-beta receptor type-1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 162 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB-525334 )
Drug Name SB-525334
Target(s)
TGF-beta receptor type I (TGFBR1)
 Target Info 
Inhibitor