General Information of the Compound
| Compound ID |
CP0408741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL191270
Cyclohexyl-(2-phenylsulfanyl-9H-purin-6-yl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N5S
|
||||||||||||||||||
| Molecular Weight |
325.441
|
||||||||||||||||||
| Canonical SMILES |
C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFXCEGOWTIZWIH-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: PT01279, Adenosine receptor A3
Clinical Information about the Compound