General Information of the Compound
Compound ID
CP0535200
Compound Name
2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide
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Synonyms
1018675-35-8
2-Hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1,2-dihydroquinoxalin-1-yl)ethyl)acetamide
2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide
Acetamide, 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1(2H)-quinoxalinyl)ethyl)-
BDBM50298898
CHEMBL573829
CS-0003005
CVT-12012
EX-A2767
HY-11034
OH3J29Q653
SCHEMBL906403
UNII-OH3J29Q653
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Structure
Formula
C21H21F3N4O3
Molecular Weight
434.418
Canonical SMILES
Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O
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InChI
InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)
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InChIKey
HRAQDVZJYIAWOV-UHFFFAOYSA-N
Physicochemical Property
logP
2.44432
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
96.25
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 25195516
SID: 57305077
ChEMBL ID
CHEMBL573829
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: PT01587, Stearoyl-CoA desaturase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CVT-12012 )
Drug Name CVT-12012
Indication
Diabetic complication
Investigative
Target(s)
Acyl-CoA desaturase (SCD)
 Target Info 
Inhibitor