[3H]nelivaptan [8000]
[3H]nelivaptan
| SMILES | [3H]C([3H])([3H])Oc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC([3H])([3H])[3H])c1 |
| InChIKey | NJXZWIIMWNEOGJ-KGKCFUOPSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Log P | 2.868 |
| Molecular weight (Da) | 641.2 |
| Stereochemistry info | partial |
| Radioactive | 3H |
No bioactivity data available.
[3H]nelivaptan
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0