| BioID | bio198034 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2041845 |
|---|
| Molecular Formula | C56H54Br2O7P2 |
|---|
| Molecular Weight | 1060.8 |
|---|
| Molecular Weight (Monoisotopic) | 900.3334 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 4,4'-Bis((Tri(2-Methoxyphenyl)Phosphonio)Methyl)Diphenyl Ether Dibromide |
|---|
| Smiles | COc1ccccc1[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].[Br-] |
|---|
| Inchi | InChI=1S/C56H54O7P2.2BrH/c1-57-45-19-7-13-25-51(45)64(52-26-14-8-20-46(52)58-2,53-27-15-9-21-47(53)59-3)39-41-31-35-43(36-32-41)63-44-37-33-42(34-38-44)40-65(54-28-16-10-22-48(54)60-4,55-29-17-11-23-49(55)61-5)56-30-18-12-24-50(56)62-6;;/h7-38H,39-40H2,1-6H3;2*1H/q+2;;/p-2 |
|---|
| Inchi Key | NQYNLYPWYRWAQL-UHFFFAOYSA-L |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.04 |
|---|
| Records Key | ['43c'] |
|---|
| Records Name | [4,4'-Bis((tri(2-methoxyphenyl)phosphonio)methyl)diphenyl Ether Dibromide"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
