General Information of the Compound
| Compound ID |
CP0398711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[6-[[4-(3-methylphenyl)-6-oxo-3-phenylpyridazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N2O4
|
||||||||||||||||||
| Molecular Weight |
480.564
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28N2O4/c1-20-7-5-10-23(15-20)26-17-28(33)32(31-30(26)22-8-3-2-4-9-22)18-21-13-14-25-24(16-21)11-6-12-27(25)36-19-29(34)35/h2-12,15,17,21H,13-14,16,18-19H2,1H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWWOTQACOVJOEC-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