| Compound | (2S,4R)-2-carboxy-4-(E)-p-coumaroyloxy-1,1-dimethylpyrrolidinium inner salt |
| NPACT-Id | NPACT01455 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Unknown |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | HNKOTLDGTXZWQX-KGLIPLIRSA-O |
| InChi | 1S/C16H19NO5/c1-17(2)10-13(9-14(17)16(20)21)22-15(19)8-5-11-3-6-12(18)7-4-11/h3-8,13-14H,9-10H2,1-2H3,(H-,18,19,20,21)/p+1/t13-,14+/m1/s1 |
| SMILES | c1cc(ccc1O)/C=C/C(=O)O[C@@H]1C[C@H]([N+](C1)(C)C)C(=O)O |
|
SMART | OC(=O)[C@@H]1C[C@@H](OC(=O)C=CC2=CC=C(O)C=C2)C[N@+]1([#6])[#6] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |