General Information of the Compound
| Compound ID |
CP0396639
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19N5O2S2
|
||||||||||||||||||
| Molecular Weight |
473.583
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc2sc3CCCCc3c12)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19N5O2S2/c25-20-17-14-9-4-5-11-16(14)32-23(17)28-21(27-20)19-18(13-7-2-1-3-8-13)26-24(33-19)29-22(30)15-10-6-12-31-15/h1-3,6-8,10,12H,4-5,9,11H2,(H2,25,27,28)(H,26,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKIHJYAJHQMTPW-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3