General Information of the Compound
| Compound ID |
CP0552065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[2-[(3-fluoro-4-methoxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24FNO5S
|
||||||||||||||||||
| Molecular Weight |
469.534
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cc2sc3COCCc3c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24FNO5S/c1-14(16-4-6-17(7-5-16)25(29)30)27-24(28)23-18-9-10-32-13-22(18)33-21(23)12-15-3-8-20(31-2)19(26)11-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,27,28)(H,29,30)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIDPPJKMDADILI-AWEZNQCLSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype