General Information of the Compound
| Compound ID |
CP0571706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[4-(2-propan-2-yloxypyrimidin-5-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27F3N8O2S
|
||||||||||||||||||
| Molecular Weight |
524.573
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ncc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27F3N8O2S/c1-12(2)35-21-26-8-16(9-27-21)18-19(36-20(29-18)22(23,24)25)31-6-7-32(13(3)10-31)17(34)11-33-15(5)28-14(4)30-33/h8-9,12-13H,6-7,10-11H2,1-5H3/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSVSKYZTMULUBO-CYBMUJFWSA-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 | |||||||||||||||||||
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: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2