General Information of the Compound
| Compound ID |
CP0373244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahydroselenophen-3-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H19N5O4Se
|
||||||||||||||||||
| Molecular Weight |
400.297
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC[Se]C3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H19N5O4Se/c20-3-8-10(21)11(22)14(23-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-24-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAOGADQCYLGBLR-BAYCTPFLSA-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