| BioID | bio197215 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL286240 |
|---|
| Molecular Formula | C12H13ClN2O5 |
|---|
| Molecular Weight | 300.7 |
|---|
| Molecular Weight (Monoisotopic) | 300.0513 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 4-[({[(2-Chloroethyl)(Nitroso)Amino]Carbonyl}Oxy)Methyl]Phenyl Acetate |
|---|
| Smiles | CC(=O)Oc1ccc(COC(=O)N(CCCl)N=O)cc1 |
|---|
| Inchi | InChI=1S/C12H13ClN2O5/c1-9(16)20-11-4-2-10(3-5-11)8-19-12(17)15(14-18)7-6-13/h2-5H,6-8H2,1H3 |
|---|
| Inchi Key | LHKIHOGTIXOCOK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -0.13 |
|---|
| Records Key | ['3'] |
|---|
| Records Name | ['4-[({[(2-chloroethyl)(nitroso)amino]carbonyl}oxy)methyl]phenyl acetate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
