General Information of the Compound
| Compound ID |
CP0494397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(3-((4-(4-bromophenoxy)benzamido)methyl)-4-methoxybenzyl)butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26BrNO5
|
||||||||||||||||||
| Molecular Weight |
512.4
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26BrNO5/c1-3-18(26(30)31)14-17-4-13-24(32-2)20(15-17)16-28-25(29)19-5-9-22(10-6-19)33-23-11-7-21(27)8-12-23/h4-13,15,18H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLSLHZJNGCVCPJ-SFHVURJKSA-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma