Bioactive Compound Details
| BioID | bio2565 |
|---|---|
| Name | BOLAZINE |
| ChEMBL ID | CHEMBL2104408 |
| Molecular Formula | C40H64N2O2 |
| Molecular Weight | 604.96 |
| Molecular Weight (Monoisotopic) | 604.4968 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BOLAZINA|BOLAZINE |
| Smiles | C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)C/C1=N\N=C1/C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(C)C[C@H]1C |
| Inchi | InChI=1S/C40H64N2O2/c1-23-21-39(5)25(7-9-27-29-11-13-35(43)37(29,3)17-15-31(27)39)19-33(23)41-42-34-20-26-8-10-28-30-12-14-36(44)38(30,4)18-16-32(28)40(26,6)22-24(34)2/h23-32,35-36,43-44H,7-22H2,1-6H3/b41-33+,42-34+/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,35+,36+,37+,38+,39+,40+/m1/s1 |
| Inchi Key | BQDZMZRUXNFTQT-KSJDNICASA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.01 |
| Records Key | ['BOLAZINE'] |
| Records Name | ['BOLAZINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
