General Information of the Compound
| Compound ID |
CP0372001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(4-cyanophenyl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H16F2N2O2S
|
||||||||||||||||||
| Molecular Weight |
446.478
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccc(cc1)C#N)C(c1ccc(F)cc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H16F2N2O2S/c26-19-9-5-16(6-10-19)23(17-7-11-20(27)12-8-17)25-29-24(21(32-25)13-22(30)31)18-3-1-15(14-28)2-4-18/h1-12,23H,13H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTNIZOOHDUITAL-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