General Information of the Compound
| Compound ID |
CP0457428
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-(methylsulfonyl)phenyl)-N-((tetrahydro-2H-pyran-4-yl)methyl)-6-(trifluoromethyl)pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
415.437
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NCC2CCOCC2)n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N3O3S/c1-28(25,26)14-4-2-13(3-5-14)15-10-16(18(19,20)21)24-17(23-15)22-11-12-6-8-27-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QARGURUVZCSLDX-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