| BioID | bio197572 |
|---|
| Name | N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3',4'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YL)-2-HYDROXY-2-METHYLPROPANAMIDE (ENANTIOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1085566 |
|---|
| Molecular Formula | C29H30Cl2N2O3 |
|---|
| Molecular Weight | 525.48 |
|---|
| Molecular Weight (Monoisotopic) | 524.1633 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 |
|---|
| Inchi | InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34) |
|---|
| Inchi Key | UTPSWDIIQDVVTK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -0.15 |
|---|
| Records Key | ['12c, Enantiomer 1', '12d, Enantiomer 2'] |
|---|
| Records Name | [N-(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]-4'-yl)-2-hydroxy-2-methylpropanamide", "N-(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]-4'-yl)-2-hydroxy-2-methylpropanamide"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
