General Information of the Compound
| Compound ID |
CP0910459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-((2,5-dihydro-1H-pyrrol-1-yl)methyl)-2-(3-(trifluoromethyl)phenyl)thieno[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15F3N4S
|
||||||||||||||||||
| Molecular Weight |
376.407
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CC=CC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15F3N4S/c19-18(20,21)12-5-3-4-11(8-12)16-23-15(22)14-9-13(26-17(14)24-16)10-25-6-1-2-7-25/h1-5,8-9H,6-7,10H2,(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXMMASHDRNGXEL-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