General Information of the Compound
| Compound ID |
CP0328974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-{[(1-Naphthylmethyl)amino]carbonyl}-4-(phenoxymethyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25NO4
|
||||||||||||||||||
| Molecular Weight |
439.511
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25NO4/c30-27(31)16-15-22-14-13-20(19-33-24-10-2-1-3-11-24)17-26(22)28(32)29-18-23-9-6-8-21-7-4-5-12-25(21)23/h1-14,17H,15-16,18-19H2,(H,29,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUQUIWQFSXZDOM-UHFFFAOYSA-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