Trade Names: | |
Synonyms: | |
Status: | Approved (1965) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | HQC4WI89YG |
InChI Key | SKPLBLUECSEIFO-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H12ClNO4 |
Molecular Weight | 245.66 |
AlogP | 1.17 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 81.78 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 16.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | - | - | 47 |
Resources | Reference |
---|---|
CAS NUMBER | 886-74-8 |
ChEBI | 3643 |
ChEMBL | CHEMBL607710 |
DrugBank | DB14656 |
DrugCentral | 614 |
EPA CompTox | DTXSID5022803 |
FDA SRS | HQC4WI89YG |
KEGG | C07930 |
PubChem | 2724 |
SureChEMBL | SCHEMBL34492 |