| BioID | bio170236 |
|---|
| Name | DUVELISIB MONOHYDRATE |
|---|
| ChEMBL ID | CHEMBL5315125 |
|---|
| Molecular Formula | C22H19ClN6O2 |
|---|
| Molecular Weight | 434.89 |
|---|
| Molecular Weight (Monoisotopic) | 416.1152 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar44 |
|---|
| Target Name | None |
|---|
| Synonyms | Copiktra|DUVELISIB (AS HYDRATE)|DUVELISIB HYDRATE|DUVELISIB MONOHYDRATE |
|---|
| Smiles | C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.O |
|---|
| Inchi | InChI=1S/C22H17ClN6O.H2O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15;/h2-13H,1H3,(H2,24,25,26,27,28);1H2/t13-;/m0./s1 |
|---|
| Inchi Key | FQLHRUBTGKTKPZ-ZOWNYOTGSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.06 |
|---|
| Records Key | ['DUVELISIB MONOHYDRATE', 'DUVELISIB MONOHYDRATE'] |
|---|
| Records Name | ['DUVELISIB MONOHYDRATE', 'DUVELISIB MONOHYDRATE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
