General Information of the Compound
| Compound ID |
CP0459103
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H15N5OS
|
||||||||||||||||||
| Molecular Weight |
313.386
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSHPWYGGKQYRRF-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b