Synonyms: | |
Status: | Approved (1987) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | J01DD05 |
UNII: | KBZ4844CXN |
InChI Key | HJJDBAOLQAWBMH-YCRCPZNHSA-N |
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Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H17N9O5S3 |
Molecular Weight | 511.57 |
AlogP | -0.87 |
Hydrogen Bond Acceptor | 14.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 190.81 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 33.0 |
Resources | Reference |
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ChEBI | 55490 |
ChEMBL | CHEMBL1201224 |
DrugBank | DB00267 |
DrugCentral | 538 |
EPA CompTox | DTXSID2022755 |
FDA SRS | KBZ4844CXN |
Human Metabolome Database | HMDB0014412 |
PubChem | 9570757 |
SureChEMBL | SCHEMBL152861 |
ZINC | ZINC000003830413 |