General Information of the Compound
| Compound ID |
CP0380971
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N5O2S2
|
||||||||||||||||||
| Molecular Weight |
487.61
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc(N)c2c(C)c(C)sc2n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N5O2S2/c1-13-14(2)33-24-18(13)21(26)28-22(29-24)20-19(15-7-5-4-6-8-15)27-25(34-20)30-23(31)16-9-11-17(32-3)12-10-16/h4-12H,1-3H3,(H2,26,28,29)(H,27,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMKDJAMSYYNNBT-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