General Information of the Compound
| Compound ID |
CP0457338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-phenylphenyl)methylsulfonyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F3N2O2S2
|
||||||||||||||||||
| Molecular Weight |
460.502
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(nc(n1)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F3N2O2S2/c23-22(24,25)20-13-18(19-7-4-12-30-19)26-21(27-20)31(28,29)14-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-13H,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDAQOSKWJFDXAC-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