Drug Information| Drug ID: | NPD1436 |
| Drug Name: | Indium In-111 pentetate disodium |
| Molecular Formula: | C14H23N3O10.In.2Na |
| Canonical SMILES: | [O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[111In+3] |
| Standard InCHI: | InChI=1S/C14H23N3O10.In.2Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;/q;+3;2*+1/p-5/i;1-4;; |
| Standard InCHIKey: | JKGXLBAWNSPIFF-LWQDMHIUSA-I |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD1436Similarity 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 | 0.7568 | NPC59650 |
| Remote Similarity | 0.6667 | NPC216443 |
| Remote Similarity | 0.6429 | NPC1591 |
| Remote Similarity | 0.5918 | NPC195448 |
| Remote Similarity | 0.5814 | NPC134570 |
| Remote Similarity | 0.569 | NPC177191 |
| Remote Similarity | 0.5652 | NPC274550 |