Details of the Drug

General Information of Drug (ID: DMOCKMZ)

Drug Name

CVT-12012

Synonyms

CVT-12012; UNII-OH3J29Q653; 1018675-35-8; CHEMBL573829; OH3J29Q653; SCHEMBL906403; EX-A2767; BDBM50298898; HY-11034; 2-Hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1,2-dihydroquinoxalin-1-yl)ethyl)acetamide; Acetamide, 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(((3-(trifluoromethyl)phenyl)methyl)amino)-1(2H)-quinoxalinyl)ethyl)-; CS-0003005; 2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

434.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C21H21F3N4O3
IUPAC Name: 2-hydroxy-N-[2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
Canonical SMILES: CC1=NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N(C1=O)CCNC(=O)CO
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)
InChIKey: HRAQDVZJYIAWOV-UHFFFAOYSA-N