General Information of the Compound
| Compound ID |
CP0554216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(4-tert-butylanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
368.458
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O3S/c1-20(2,3)14-5-7-15(8-6-14)22-18(23)11-25-19(24)13-4-9-16-17(10-13)26-12-21-16/h4-10,12H,11H2,1-3H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGGJUOVYQBZEIE-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: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor