| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1308 | 554-18-7 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.33 | acidic |
| pKa2 | 1.93 | acidic |
| pKa3 | 12.48 | acidic |
| pKa4 | 13.08 | acidic |
| pKa5 | 13.35 | acidic |
| pKa6 | 13.73 | acidic |
| pKa7 | 4.28 | Basic |
| pKa8 | 3.68 | Basic |
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| ID | Source |
|---|---|
| D02520 | KEGG_DRUG |
| C0082718 | UMLSCUI |
| CHEBI:135878 | CHEBI |
| CHEMBL3989539 | ChEMBL_ID |
| CHEMBL3990237 | ChEMBL_ID |
| C037441 | MESH_SUPPLEMENTAL_RECORD_UI |
| JX8G4WPC8D | UNII |
| 10440240 | PUBCHEM_CID |
| 003004 | NDDF |
| 4872005 | SNOMEDCT_US |
| 89326009 | SNOMEDCT_US |
| 1939 | INN_ID |
| 551-89-3 | SECONDARY_CAS_RN |
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