General Information of the Compound
| Compound ID |
CP0249463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21Cl2NO4
|
||||||||||||||||||
| Molecular Weight |
482.363
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21Cl2NO4/c1-15(2)25-20(24(29-33-25)23-21(27)7-4-8-22(23)28)14-32-19-11-9-16(10-12-19)17-5-3-6-18(13-17)26(30)31/h3-13,15H,14H2,1-2H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKSDGBPWVCMNGH-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