General Information of the Compound
| Compound ID |
CP0424434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1-(2-anilino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N5OS
|
||||||||||||||||||
| Molecular Weight |
327.413
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N5OS/c22-9-12-7-4-8-21(12)14-13-15(18-10-17-14)23-16(20-13)19-11-5-2-1-3-6-11/h1-3,5-6,10,12,22H,4,7-9H2,(H,19,20)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCWNMXKDPVGZGX-LBPRGKRZSA-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