Molecule Info
| SMILES | CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4=C(C3)C(=CC=C4)O |
|---|---|
| InChIKey | SHYXBMCIVLXUTI-UHFFFAOYSA-N |
| Molecular Weight | 395.14 |
| Calculated LogP | 3.92 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
PAINS Filter Match
| SMILES | CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4=C(C3)C(=CC=C4)O |
|---|---|
| InChIKey | SHYXBMCIVLXUTI-UHFFFAOYSA-N |
| Molecular Weight | 395.14 |
| Calculated LogP | 3.92 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |