General Information of the Compound
| Compound ID |
CP0429771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-ethylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23F3N4O4S
|
||||||||||||||||||
| Molecular Weight |
508.522
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23F3N4O4S/c1-4-35(32,33)18-5-6-21(34-15(3)23(24,25)26)19(10-18)22(31)29-11-16-12-30(28-20(16)13-29)17-7-8-27-14(2)9-17/h5-10,12,15H,4,11,13H2,1-3H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWXURZJVUUIGAA-HNNXBMFYSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2