General Information of the Compound
| Compound ID |
CP0001611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,4-dichlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10Cl2N4O2S
|
||||||||||||||||||
| Molecular Weight |
393.255
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(-c2nc(cs2)C(=O)NNC(=O)c2ccccn2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10Cl2N4O2S/c17-9-4-5-10(11(18)7-9)16-20-13(8-25-16)15(24)22-21-14(23)12-3-1-2-6-19-12/h1-8H,(H,21,23)(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMBIKZHGTPMMMM-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 | |||||||||||||||||||
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: PT01760, Interleukin-1 receptor type 1
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02367, Tumor necrosis factor receptor superfamily member 1A
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 1350 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|