General Information of the Compound
| Compound ID |
CP0069892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-chloro-4-((5-isopropyl-3-((2,4,6-trifluorophenoxy)methyl)isoxazol-4-yl)methoxy)styryl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23ClF3NO5
|
||||||||||||||||||
| Molecular Weight |
557.952
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(COc2c(F)cc(F)cc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23ClF3NO5/c1-16(2)27-22(26(34-39-27)15-38-28-24(32)11-20(31)12-25(28)33)14-37-21-9-8-18(23(30)13-21)7-6-17-4-3-5-19(10-17)29(35)36/h3-13,16H,14-15H2,1-2H3,(H,35,36)/b7-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLJAMJCELUPGHQ-VOTSOKGWSA-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