General Information of the Compound
| Compound ID |
CP0394224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[(3S)-3-hydroxy-3-phenylprop-1-ynyl]-6-(propan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O5
|
||||||||||||||||||
| Molecular Weight |
439.472
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C[C@@H](O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O5/c1-12(2)24-20-17-21(27(11-23-17)22-19(31)18(30)15(10-28)32-22)26-16(25-20)9-8-14(29)13-6-4-3-5-7-13/h3-7,11-12,14-15,18-19,22,28-31H,10H2,1-2H3,(H,24,25,26)/t14-,15-,18-,19-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLEPHVZVZULFSJ-VACFCZKPSA-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