General Information of the Compound
| Compound ID |
CP0490839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(2-(4-tert-butylphenoxy)acetamido)benzoic acid
2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic Acid
2-{[(4-tert-butylphenoxy)acetyl]amino}benzoic acid
AC1N7082
AKOS002944005
BDBM50264188
CHEMBL443733
MCULE-2716737007
MolPort-001-494-161
Oprea1_160526
SCHEMBL3987191
STK000456
ZINC4546761
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21NO4
|
||||||||||||||||||
| Molecular Weight |
327.38
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZQIBGXCHZEONC-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
Clinical Information about the Compound