General Information of the Compound
| Compound ID |
CP0498722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-benzhydryl-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17F2NO2S
|
||||||||||||||||||
| Molecular Weight |
421.468
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccc(F)c(F)c1)C(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17F2NO2S/c25-18-12-11-17(13-19(18)26)23-20(14-21(28)29)30-24(27-23)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,22H,14H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZONOYMJTLNJGC-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