General Information of the Compound
| Compound ID |
CP0524031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-cyclobutoxy-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
372.368
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCC2)n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F3N2O3S/c1-25(22,23)12-7-5-10(6-8-12)13-9-14(16(17,18)19)21-15(20-13)24-11-3-2-4-11/h5-9,11H,2-4H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYVXKMPRWKMQAC-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2