Drug Information| Drug ID: | NPD1246 |
| Drug Name: | Tiaprofenic Acid |
| Molecular Formula: | C14H12O3S |
| Canonical SMILES: | OC(=O)C(c1ccc(s1)C(=O)c1ccccc1)C |
| Standard InCHI: | InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17) |
| Standard InCHIKey: | GUHPRPJDBZHYCJ-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD1246Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DAP000973 |
| DrugBank | DB01600 |
| ChEMBL | CHEMBL365795 |
| IUPHAR/BPS | |
| PharmaGKB | PA164764503 |
| KEGG Drug | |
| PubChem CID | 5468 |
| ChEBI | 32221 |
| CAS Number | 33005-95-7 |
| Molecular Weight | 260.05 |
| ALogP | 0.3818 |
| MLogP | 2.56 |
| XLogP | 3.889 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 82.61 |
| RO5 Violation | 0 |