| BioID | bio198258 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2051939 |
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| Molecular Formula | C11H18ClN3O4 |
|---|
| Molecular Weight | 291.74 |
|---|
| Molecular Weight (Monoisotopic) | 291.0986 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| 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-KYZUINATSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -0.58 |
|---|
| Records Key | ['61', '25', '25'] |
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| Records Name | ['methyl 4-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)cyclohexanecarboxylate', 'Trans-methyl 4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexanecarboxylate', 'Trans-methyl 4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexanecarboxylate'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
