| BioID | bio197222 |
|---|
| Name | NUTLIN-2 |
|---|
| ChEMBL ID | CHEMBL407632 |
|---|
| Molecular Formula | C31H34Br2N4O4 |
|---|
| Molecular Weight | 686.45 |
|---|
| Molecular Weight (Monoisotopic) | 684.0947 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Nutlin-2 |
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| Smiles | CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CCN(CCO)CC1 |
|---|
| Inchi | InChI=1S/C31H34Br2N4O4/c1-3-41-27-20-25(40-2)12-13-26(27)30-34-28(21-4-8-23(32)9-5-21)29(22-6-10-24(33)11-7-22)37(30)31(39)36-16-14-35(15-17-36)18-19-38/h4-13,20,28-29,38H,3,14-19H2,1-2H3/t28-,29+/m0/s1 |
|---|
| Inchi Key | PVRYEWOXWGDQHA-URLMMPGGSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 41.0 |
|---|
| Np Likeness Score | -0.3 |
|---|
| Records Key | ['1', 'Nutlin-2', '4', '1', '2', 'Nutlin-2'] |
|---|
| Records Name | ['((4S,5R)-4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone', '[(4S,5R)-4,5-Bis-(4-bromo-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazol-1-yl]-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone', 'rac-cis-Nutlin-2', 'Nutlin-2', 'Nutlin-2', 'cis-(4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
