Structure

InChI Key DTGLZDAWLRGWQN-UHFFFAOYSA-N
Smile CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
InChI
InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H20FNO3S
Molecular Weight 373.45
AlogP 3.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 46.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 3 D009203 ClinicalTrials
Acute Coronary Syndrome 3 D054058 ClinicalTrials
Anemia, Sickle Cell 3 D000755 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
ST Elevation Myocardial Infarction 3 D000072657 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Heart Diseases 2 D006331 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 150322-43-3
ChEBI 87723
ChEMBL CHEMBL1201772
DrugBank DB06209
DrugCentral 4113
FDA SRS 34K66TBT99
Human Metabolome Database HMDB0015625
Guide to Pharmacology 7562
PharmGKB PA154410481
PubChem 6918456
SureChEMBL SCHEMBL245032