Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | R06AD03 |
UNII | 8ETK1WAF6R |
EPA CompTox | DTXSID1023651 |
InChI Key | XCTYLCDETUVOIP-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C22H29N3S2 | |
Molecular Weight | 399.63 | |
AlogP | 5.04 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 6.0 | |
Polar Surface Area | 9.72 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 27.0 |
Resources | Reference | |
---|---|---|
ChEBI | 9544 | |
ChEMBL | CHEMBL1378 | |
DrugBank | DB00372 | |
DrugCentral | 2630 | |
FDA SRS | 8ETK1WAF6R | |
Human Metabolome Database | HMDB0014516 | |
Guide to Pharmacology | 7306 | |
KEGG | C07132 | |
PharmGKB | PA164748882 | |
PubChem | 5440 | |
SureChEMBL | SCHEMBL49124 | |
ZINC | ZINC000022446674 |