General Information of the Compound
| Compound ID |
CP0504213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(10-(3,4-dichlorophenylthio)-1-propyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-9-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
449.403
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22Cl2N2O2S/c1-2-4-17-20-18(8-9-25-17)26-10-3-5-13(11-19(27)28)21(26)22(20)29-14-6-7-15(23)16(24)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXJFHHCBCZJNEC-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