| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 990S25980Y |
Structure
| InChI Key | VVIAGPKUTFNRDU-STQMWFEESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C20H23N7O7 | |
| Molecular Weight | 473.45 | |
| AlogP | -0.73 | |
| Hydrogen Bond Acceptor | 9.0 | |
| Hydrogen Bond Donor | 7.0 | |
| Number of Rotational Bond | 10.0 | |
| Polar Surface Area | 219.84 | |
| Molecular species | ACID | |
| Aromatic Rings | 2.0 | |
| Heavy Atoms | 34.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
|---|---|---|---|---|---|
| Colorectal Neoplasms | 4 | D015179 | ClinicalTrials | ||
| Esophageal Neoplasms | 3 | D004938 | ClinicalTrials | ||
| Rectal Neoplasms | 2 | D012004 | ClinicalTrials | ||
| Colonic Neoplasms | 1 | D003110 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68538-85-2 |
| ChEBI | 63606 |
| ChEMBL | CHEMBL1908841 |
| DrugBank | DB11596 |
| DrugCentral | 4384 |
| EPA CompTox | DTXSID4023204 |
| FDA SRS | 990S25980Y |
| PDB | FFO |
| PubChem | 135398559 |
| SureChEMBL | SCHEMBL16946130 |
| ZINC | ZINC000009212427 |
CONTENTS