[3H]S0139 [8048]
[3H]S0139
| SMILES | CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(COC(=O)/C=C/c4cc(O)ccc4NC(=O)/C=C/C(=O)[O-])C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)[C@@H]2C1 |
| InChIKey | NZCHLXQRTYIWRL-VDJOMVRUSA-L |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Log P | 5.294 |
| Molecular weight (Da) | 727.4 |
| Stereochemistry info | partial |
| Radioactive | 3H |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
[3H]S0139
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