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Structure
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| Relationships |
Total Number of functionally related protein(s) :
102
Total Number of Articles : 197
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| PubChem |
11433190
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| Molecular Formula |
C30H30Cl2N4O4 |
| SMILES |
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl |
| InChI |
InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 |
| synonyms |
- nutlin-3A
- 675576-98-4
- Nutlin-3
- Nutlin 3a
- (-)-Nutlin-3
- Nutlin-3a chiral
- 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-Piperazinone
- 4-((4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
- nutlin 3
- (-)-Nutlin 3
- CHEMBL191334
- L7C92IOE65
- 53IA0V845C
- (+)-Nutlin-3
- 2-Piperazinone, 4-(((4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1H-imidazol-1-yl)carbonyl)-
- 4-[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
- 548472-68-0 (4R5S, and 4S5R)
- C30H30Cl2N4O4
- Nutlin 3b
- (+/-)-4-[4,5-bis-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
- REBEMADLIN
- UNII-L7C92IOE65
- MFCD14636430
- Nutlin3a
- NSC-732664
- Nutlin (3a)
- 4hg7
- 4j3e
- REBEMADLIN [INN]
- (4S,5R)-Nutlin-3
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| Properties |
| Property |
Value |
| MW |
581.5 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
6 |
| Exact Mass |
580.1644108 g/mol |
| Monoisotopic Mass |
580.1644108 g/mol |
| Heavy Atom Count |
40 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
919 |
| xlogp |
5.2 |
| Topological Polar Surface Area |
83.5 |
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