General Information of the Compound
| Compound ID |
CP0257810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
(2S)-3-phenyl-2-(4-phenylphenoxy)propanoic Acid
862901-87-9
AOB2972
BDBM28759
CHEMBL191275
DB08121
LRG
LT 175
LT175
LT175 (S-1)
MolPort-039-138-772
NCGC00402292-03
SCHEMBL20553479
SYN5198
ZINC13671695
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18O3
|
||||||||||||||||||
| Molecular Weight |
318.372
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZTPJJNNACUQQR-FQEVSTJZSA-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 | |||||||||||||||||||
| DrugBank 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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Clinical Information about the Compound