General Information of the Compound
| Compound ID |
CP0506301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(1H-pyrazol-4-yl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15F2N3O2S
|
||||||||||||||||||
| Molecular Weight |
411.433
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1cn[nH]c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15F2N3O2S/c22-15-5-1-12(2-6-15)19(13-3-7-16(23)8-4-13)21-26-20(14-10-24-25-11-14)17(29-21)9-18(27)28/h1-8,10-11,19H,9H2,(H,24,25)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLUWPBGDKJQRDB-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