| BioID | bio199089 |
|---|
| Name | (2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3',4'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YL)-2-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1084820 |
|---|
| Molecular Formula | C28H28Cl2N2O3 |
|---|
| Molecular Weight | 511.45 |
|---|
| Molecular Weight (Monoisotopic) | 510.1477 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
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| Target Name | None |
|---|
| Synonyms | None |
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| Smiles | C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 |
|---|
| Inchi | InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1 |
|---|
| Inchi Key | CBNQOXMUNJAOJO-KEJDIYNNSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -0.29 |
|---|
| Records Key | ['12f, Enantiomer 2', '12e, Enantiomer 1'] |
|---|
| Records Name | [(2S)-N-(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]-4'-yl)-2-hydroxypropanamide", "(2S)-N-(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]-4'-yl)-2-hydroxypropanamide"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
