Synonyms: | |
Status: | Approved (1965) |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
UNII: | XXE1CET956 |
InChI Key | CGIGDMFJXJATDK-UHFFFAOYSA-N |
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Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H16ClNO4 |
Molecular Weight | 357.79 |
AlogP | 3.93 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 68.53 |
Molecular species | ACID |
Aromatic Rings | 3.0 |
Heavy Atoms | 25.0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Gout | 4 | D006073 | ClinicalTrials |
Pain | 4 | D010146 | ClinicalTrials |
Ductus Arteriosus, Patent | 4 | D004374 | ClinicalTrials |
Squamous Cell Carcinoma of Head and Neck | 3 | D000077195 | ClinicalTrials |
Pancreatitis | 3 | D010195 | ClinicalTrials |
Premature Birth | 3 | D047928 | ClinicalTrials |
Alzheimer Disease | 3 | D000544 | ClinicalTrials |
Pancreatitis | 3 | D010195 | ClinicalTrials |
Inflammation | 3 | D007249 | ClinicalTrials |
Renal Colic | 3 | D056844 | ClinicalTrials |
Hemorrhage | 3 | D006470 | ClinicalTrials |
Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Histiocytosis, Langerhans-Cell | 2 | D006646 | ClinicalTrials |
Squamous Intraepithelial Lesions | 2 | D000081483 | ClinicalTrials |
Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
Pancreatitis, Chronic | 2 | D050500 | ClinicalTrials |
Toothache | 2 | D014098 | ClinicalTrials |
Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 1 | D045169 | ClinicalTrials |
Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials |
Asthma | 1 | D001249 | ClinicalTrials |
Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
Lecithin Cholesterol Acyltransferase Deficiency | 1 | D007863 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 49662 |
ChEMBL | CHEMBL6 |
DrugBank | DB00328 |
DrugCentral | 1440 |
EPA CompTox | DTXSID9020740 |
FDA SRS | XXE1CET956 |
Human Metabolome Database | HMDB0014473 |
Guide to Pharmacology | 1909 |
KEGG | C01926 |
PDB | IMN |
PharmGKB | PA449982 |
SureChEMBL | SCHEMBL9300 |
ZINC | ZINC000000601283 |