General Information of the Compound
| Compound ID |
CP0418926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4,5-diphenyl-1,3-oxazol-2-yl)butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17NO3
|
||||||||||||||||||
| Molecular Weight |
307.349
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCc1nc(c(o1)-c1ccccc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17NO3/c21-17(22)13-7-12-16-20-18(14-8-3-1-4-9-14)19(23-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDDMEFZHCWVDIJ-UHFFFAOYSA-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma