General Information of the Compound
| Compound ID |
CP0415785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
435.376
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUZBJNWFEDHIPR-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