Bioactive Compound Details
| BioID | bio199802 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL584209 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.29 |
| Molecular Weight (Monoisotopic) | 247.1208 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | (1R,2S)-2-(Phenylcarbamoyl)Cyclohexanecarboxylic Acid |
| Smiles | O=C(Nc1ccccc1)[C@H]1CCCC[C@H]1C(=O)O |
| Inchi | InChI=1S/C14H17NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1 |
| Inchi Key | CMLOGIAOLIBOQF-NWDGAFQWSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.82 |
| Records Key | ['4h'] |
| Records Name | ['(1R,2S)-2-(phenylcarbamoyl)cyclohexanecarboxylic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
