theophylline
theophylline
| SMILES | Cn1c(=O)c2[nH]cnc2n(C)c1=O |
| InChIKey | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 180.1 |
No bioactivity data available.
theophylline
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV