| BioID | bio198758 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1964420 |
|---|
| Molecular Formula | C10H16ClN3O4 |
|---|
| Molecular Weight | 277.71 |
|---|
| Molecular Weight (Monoisotopic) | 277.0829 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 4-({[(2-Chloroethyl)(Nitroso)Amino]Carbonyl}Amino)Cyclohexanecarboxylic Acid |
|---|
| Smiles | O=NN(CCCl)C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 |
|---|
| Inchi | InChI=1S/C10H16ClN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)/t7-,8+ |
|---|
| Inchi Key | VGKZBAMIYUHSMU-OCAPTIKFSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 71.0 |
|---|
| Bioactivities | 83.0 |
|---|
| Np Likeness Score | -0.48 |
|---|
| Records Key | ['SID432935', '59', '44', '23'] |
|---|
| Records Name | ['SID432935', '4-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)cyclohexanecarboxylic acid', 'Cis-4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid', 'Cis-4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
