General Information of the Compound
Compound ID
CP0387266
Compound Name
N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-methoxyphenoxy)-2-methylpropanamide
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Structure
Formula
C22H26N4O5S
Molecular Weight
458.54
Canonical SMILES
COc1cccc(OC(C)(C)C(=O)Nc2nc3c(OC)cnc(N4CCOCC4)c3s2)c1
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InChI
InChI=1S/C22H26N4O5S/c1-22(2,31-15-7-5-6-14(12-15)28-3)20(27)25-21-24-17-16(29-4)13-23-19(18(17)32-21)26-8-10-30-11-9-26/h5-7,12-13H,8-11H2,1-4H3,(H,24,25,27)
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InChIKey
FYXKVHMCHPNCNX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3412
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
95.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
32

"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: 137639308
ChEMBL ID
CHEMBL4072801
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 42 nM
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