General Information of the Compound
| Compound ID |
CP0421542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
acrylic acid derivative, 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30O6
|
||||||||||||||||||
| Molecular Weight |
426.509
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\C(O)=O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30O6/c1-15-16(2)24-20(17(3)23(15)28)10-11-25(4,31-24)12-13-30-21-14-19(29-5)8-6-18(21)7-9-22(26)27/h6-9,14,28H,10-13H2,1-5H3,(H,26,27)/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQMZJMKFBPBGJZ-VQHVLOKHSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype