Drug Information| Drug ID: | NPD1832 |
| Drug Name: | Pentolinium Tartrate |
| Molecular Formula: | C15H32N2.2C4H6O6 |
| Canonical SMILES: | C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O[C@H]([C@H](C(=O)O)O)C(=O)O.O[C@H]([C@H](C(=O)[O-])O)C(=O)[O-] |
| Standard InCHI: | InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1 |
| Standard InCHIKey: | HSMKTIKKPMTUQH-WBPXWQEISA-L |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD1832Similarity 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
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Intermediate Similarity | 0.8108 | NPC166030 |
| Remote Similarity | 0.6585 | NPC471575 |
| Remote Similarity | 0.6585 | NPC471440 |
| Remote Similarity | 0.6053 | NPC320889 |
| Remote Similarity | 0.6 | NPC471607 |
| Remote Similarity | 0.5952 | NPC326791 |
| Remote Similarity | 0.5938 | NPC258096 |
| Remote Similarity | 0.5854 | NPC74599 |
| Remote Similarity | 0.5849 | NPC471605 |
| Remote Similarity | 0.5849 | NPC471443 |
| Remote Similarity | 0.5769 | NPC471442 |
| Remote Similarity | 0.5769 | NPC471423 |
| Remote Similarity | 0.575 | NPC323644 |
| Remote Similarity | 0.5676 | NPC232311 |
| Remote Similarity | 0.5676 | NPC270175 |
| Remote Similarity | 0.5676 | NPC152949 |