General Information of the Compound
Compound ID |
CP0244206
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
7-[4-imidazo[1,2-a]pyridin-5-yl-3-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C21H12F3N3OS
|
||||||||||||||||||
Molecular Weight |
411.408
|
||||||||||||||||||
Canonical SMILES |
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C21H12F3N3OS/c22-21(23,24)16-12-14(28-20-19-13(6-8-26-20)7-11-29-19)4-5-15(16)17-2-1-3-18-25-9-10-27(17)18/h1-12H
Show/Hide
|
||||||||||||||||||
InChIKey |
BWXKKFQODXKNLQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01307, 5-hydroxytryptamine receptor 4
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter