General Information of the Compound
| Compound ID |
CP0411453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[6-[[4-(2-fluorophenyl)-6-oxo-5-phenylpyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25FN2O4
|
||||||||||||||||||
| Molecular Weight |
484.527
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)COc1cccc2CC(Cn3ncc(-c4ccccc4F)c(-c4ccccc4)c3=O)CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25FN2O4/c30-25-11-5-4-10-23(25)24-16-31-32(29(35)28(24)20-7-2-1-3-8-20)17-19-13-14-22-21(15-19)9-6-12-26(22)36-18-27(33)34/h1-12,16,19H,13-15,17-18H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
INNXTRNVCBZPHW-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: PT02279, Prostacyclin receptor
Protein ID: PT05707, Prostacyclin receptor