| BioID | bio197531 |
|---|
| Name | (2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1083646 |
|---|
| Molecular Formula | C25H23Cl3N2O3 |
|---|
| Molecular Weight | 505.83 |
|---|
| Molecular Weight (Monoisotopic) | 504.0774 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
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| Smiles | C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 |
|---|
| Inchi | InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1 |
|---|
| Inchi Key | XCFWDLWOCXSJOK-ILRUXTBWSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -0.24 |
|---|
| Records Key | ['13k, Enantiomer 1', '13l, Enantiomer 2'] |
|---|
| Records Name | ['(2R)-N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-2-hydroxypropanamide', '(2R)-N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-2-hydroxypropanamide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
