General Information of the Compound
| Compound ID |
CP0017214
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea
Show/Hide
|
||||||||||||||||||
| Synonyms |
-(5-nitro-1,3-thiazol-2-yl)urea
1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea
1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
487021-52-3
87KSH90Q6D
A Inhibitor VIII
AK175829
AR 014418
AR-A 014418
AR-A014418
AR-AO 14418
C12H12N4O4S
CHEMBL259850
GSK 3be
GSK-3beta Inhibitor VIII
N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA
N-(4-Methoxybenzyl)-N&
N-[(4-Methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)urea
SN 4521
UNII-87KSH90Q6D
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12N4O4S
|
||||||||||||||||||
| Molecular Weight |
308.319
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAEMHJKFIIIULI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
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: PT00962, Glycogen synthase kinase-3 beta
Clinical Information about the Compound