Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J01DD13 |
UNII: | 7R4F94TVGY |
InChI Key | WYUSVOMTXWRGEK-HBWVYFAYSA-N |
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Smile | |
InChI |
|
Property Name | Value |
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Molecular Formula | C15H17N5O6S2 |
Molecular Weight | 427.46 |
AlogP | -0.54 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 156.44 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 28.0 |
Resources | Reference |
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CAS NUMBER | 80210-62-4 |
ChEBI | 3504 |
ChEMBL | CHEMBL1672 |
DrugBank | DB01416 |
EPA CompTox | DTXSID6022765 |
FDA SRS | 7R4F94TVGY |
Human Metabolome Database | HMDB0015486 |
Guide to Pharmacology | 10780 |
KEGG | C08114 |
PharmGKB | PA164746385 |
PubChem | 6335986 |
SureChEMBL | SCHEMBL27072 |
ZINC | ZINC000003830453 |