General Information of the Compound
| Compound ID |
CP0481326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(9-(4-chlorophenylthio)-1-(methylsulfonyl)-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizin-8-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClN2O4S2
|
||||||||||||||||||
| Molecular Weight |
436.942
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN2O4S2/c1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h2-6,8,11H,7,9-10H2,1H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVWATVUHMOYDJK-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