| BioID | bio199202 |
|---|
| Name | 4-(2-HYDROXY-3-ISOPROPYL-AMINOPROPOXY)BENZOIC ACID |
|---|
| ChEMBL ID | CHEMBL769 |
|---|
| Molecular Formula | C13H19NO4 |
|---|
| Molecular Weight | 253.3 |
|---|
| Molecular Weight (Monoisotopic) | 253.1314 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 4-(2-Hydroxy-3-Isopropyl-Aminopropoxy)Benzoic Acid (<5%) |
|---|
| Smiles | CC(C)NCC(O)COc1ccc(C(=O)O)cc1 |
|---|
| Inchi | InChI=1S/C13H19NO4/c1-9(2)14-7-11(15)8-18-12-5-3-10(4-6-12)13(16)17/h3-6,9,11,14-15H,7-8H2,1-2H3,(H,16,17) |
|---|
| Inchi Key | WONQRVASZHJNFS-UHFFFAOYSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.41 |
|---|
| Records Key | ['14'] |
|---|
| Records Name | ['4-(2-Hydroxy-3-isopropylamino-propoxy)-benzoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
