General Information of the Compound
| Compound ID |
CP0385945
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)methyl)azetidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22FN3O2S
|
||||||||||||||||||
| Molecular Weight |
447.535
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXOPPLGMWBBMQK-OAHLLOKOSA-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3