orn-0829 hydrate
orn-0829 hydrate
| SMILES | Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cn3)n2)c1.Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cn3)n2)c1.Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cn3)n2)c1.Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cn3)n2)c1.O |
| InChIKey | VFOCOQRYYZPTLV-RUCMDRKWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 29 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 20 |
| Molecular weight (Da) | 1807.9 |
Database connections
No bioactivity data available.
orn-0829 hydrate
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
2
Phase IV
0
Database connections
Sankey plot
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Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |