General Information of the Compound
| Compound ID |
CP0425300
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H37N3O4
|
||||||||||||||||||
| Molecular Weight |
575.709
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4[C@H](Cc5ccccc5)COC4=O)c3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H37N3O4/c1-36(2,3)30-16-12-26(13-17-30)22-37-33(40)28-14-18-31(19-15-28)38-34(41)29-11-7-10-27(20-29)23-39-32(24-43-35(39)42)21-25-8-5-4-6-9-25/h4-20,32H,21-24H2,1-3H3,(H,37,40)(H,38,41)/t32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVJCPFOBKZATEY-JGCGQSQUSA-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma