General Information of the Compound
| Compound ID |
CP0510466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(2-(benzo[d][1,3]dioxol-5-yl)benzyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18FNO4S
|
||||||||||||||||||
| Molecular Weight |
447.487
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1sc(Cc2ccccc2-c2ccc3OCOc3c2)nc1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18FNO4S/c26-18-8-5-15(6-9-18)25-22(13-24(28)29)32-23(27-25)12-16-3-1-2-4-19(16)17-7-10-20-21(11-17)31-14-30-20/h1-11H,12-14H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKCOZROXSAQFQY-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