General Information of the Compound
| Compound ID |
CP0894506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-5-ethylsulfanylmethyl-tetrahydro-furan-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25N5O3S
|
||||||||||||||||||
| Molecular Weight |
391.497
|
||||||||||||||||||
| Canonical SMILES |
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCC)[C@@H](O)[C@H]3O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25N5O3S/c1-3-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(25)14(24)11(26-18)9-27-4-2/h10-11,14-15,18,24-25H,3-6,9H2,1-2H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDLNCCQPLZYMLF-XKLVTHTNSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3