General Information of the Compound
| Compound ID |
CP0570252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-4-[4-(6-methoxypyridin-3-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24F3N7O2S
|
||||||||||||||||||
| Molecular Weight |
495.531
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1nc(C)nc1C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24F3N7O2S/c1-12-10-29(7-8-30(12)17(32)11-31-14(3)26-13(2)28-31)19-18(27-20(34-19)21(22,23)24)15-5-6-16(33-4)25-9-15/h5-6,9,12H,7-8,10-11H2,1-4H3/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICSXEIGDNSDUPH-GFCCVEGCSA-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