General Information of the Compound
| Compound ID |
CP0520899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(4R)-4-[[3-(5-fluoropyridin-2-yl)pyrazol-1-yl]methyl]-1,3-thiazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20FN7OS
|
||||||||||||||||||
| Molecular Weight |
449.515
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N1CSC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20FN7OS/c1-15-2-5-21(30-25-7-8-26-30)18(10-15)22(31)29-14-32-13-17(29)12-28-9-6-20(27-28)19-4-3-16(23)11-24-19/h2-11,17H,12-14H2,1H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTAYPYFUGIRKPJ-QGZVFWFLSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1