General Information of the Compound
| Compound ID |
CP0384343
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-methoxybenzyloxy)-3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)phenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25ClF3NO6S
|
||||||||||||||||||
| Molecular Weight |
608.034
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(COc2ccc(cc2OCCc2sc(nc2C)-c2ccc(Cl)cc2)C(O)(C(O)=O)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25ClF3NO6S/c1-17-25(41-26(34-17)19-5-8-21(30)9-6-19)13-14-39-24-15-20(28(37,27(35)36)29(31,32)33)7-12-23(24)40-16-18-3-10-22(38-2)11-4-18/h3-12,15,37H,13-14,16H2,1-2H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNFFOPXGGIYDLE-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