compound 33 [Toda et al., 2013]
compound 33 [Toda et al., 2013]
| SMILES | CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCCCC2)n1 |
| InChIKey | ATOKVTDUHKZLMB-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 438.2 |
Database connections
No bioactivity data available.
compound 33 [Toda et al., 2013]
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV