Bioactive Compound Details
| BioID | bio198495 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL111050 |
| Molecular Formula | C7H13NO4 |
| Molecular Weight | 175.18 |
| Molecular Weight (Monoisotopic) | 175.0845 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Amino-Heptanedioic Acid |
| Smiles | NC(CCCCC(=O)O)C(=O)O |
| Inchi | InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12) |
| Inchi Key | JUQLUIFNNFIIKC-UHFFFAOYSA-N |
| Molecular Species | ZWITTERION |
| Targets | 12.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | 1.22 |
| Records Key | ['4', '1', '28; AHD'] |
| Records Name | ['2-Amino-heptanedioic acid', '2-Amino-heptanedioic acid', '2-aminoheptanedioic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
