| BioID | bio197948 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2051746 |
|---|
| Molecular Formula | C11H18ClN3O4 |
|---|
| Molecular Weight | 291.74 |
|---|
| Molecular Weight (Monoisotopic) | 291.0986 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Methyl 4-({[(2-Chloroethyl)(Nitroso)Amino]Carbonyl}Amino)Cyclohexanecarboxylate |
|---|
| Smiles | COC(=O)[C@H]1CC[C@@H](NC(=O)N(CCCl)N=O)CC1 |
|---|
| Inchi | InChI=1S/C11H18ClN3O4/c1-19-10(16)8-2-4-9(5-3-8)13-11(17)15(14-18)7-6-12/h8-9H,2-7H2,1H3,(H,13,17)/t8-,9+ |
|---|
| Inchi Key | YSVWGWBSXUMUGW-DTORHVGOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -0.58 |
|---|
| Records Key | ['63', '42', '27'] |
|---|
| Records Name | ['methyl 4-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)cyclohexanecarboxylate', 'Cis-methyl 4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexanecarboxylate', 'Cis-methyl 4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexanecarboxylate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
