General Information of the Compound
Compound ID
CP0537170
Compound Name
2-(azetidin-1-ylmethyl)-7-(4-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide
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Structure
Formula
C18H16FN3OS
Molecular Weight
341.411
Canonical SMILES
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCC3)cc2n1
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InChI
InChI=1S/C18H16FN3OS/c19-12-4-2-11(3-5-12)14-9-16(18(20)23)21-15-8-13(24-17(14)15)10-22-6-1-7-22/h2-5,8-9H,1,6-7,10H2,(H2,20,23)
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InChIKey
SUWGTABERSAOJQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.407
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
59.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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).

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PubChem ID
CID: 155525629
ChEMBL ID
CHEMBL4457062
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS