Bioactive Compound Details
| BioID | bio198804 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL12435 |
| Molecular Formula | C6H10ClN3O4 |
| Molecular Weight | 223.62 |
| Molecular Weight (Monoisotopic) | 223.036 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-({[(2-Chloroethyl)(Nitroso)Amino]Carbonyl}Amino)Propanoic Acid |
| Smiles | CC(NC(=O)N(CCCl)N=O)C(=O)O |
| Inchi | InChI=1S/C6H10ClN3O4/c1-4(5(11)12)8-6(13)10(9-14)3-2-7/h4H,2-3H2,1H3,(H,8,13)(H,11,12) |
| Inchi Key | ORNLZEDGUXUSMV-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -0.24 |
| Records Key | ['68'] |
| Records Name | ['2-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)propanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
