General Information of the Compound
| Compound ID |
CP0491289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-ethoxy-1-oxobutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27Cl2NO5
|
||||||||||||||||||
| Molecular Weight |
492.399
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)[C@H](CC)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27Cl2NO5/c1-3-21(25(32)33-4-2)28-23(15-8-10-18(26)11-9-15)20(16-6-5-7-19(27)12-16)13-17(24(28)31)14-22(29)30/h5-12,17,20-21,23H,3-4,13-14H2,1-2H3,(H,29,30)/t17-,20-,21+,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFUTVACYJYKVDU-PIBIMKELSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound