General Information of the Compound
| Compound ID |
CP0481328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(9-(3,4-dichlorophenylthio)-1-phenyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
469.393
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18Cl2N2O2S/c25-17-7-6-16(13-18(17)26)31-24-21-19(28-11-9-15(23(24)28)12-20(29)30)8-10-27-22(21)14-4-2-1-3-5-14/h1-8,10,13,15H,9,11-12H2,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBPAMNUCEXQEIR-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01819, Thromboxane A2 receptor