General Information of the Compound
| Compound ID |
CP0853685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,E)-5-(2-(6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)hydrazono)pentane-1,2,3,4-tetraol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H23N7O8
|
||||||||||||||||||
| Molecular Weight |
429.39
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N/N=C/[C@@H](O)[C@@H](O)[C@@H](O)CO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H23N7O8/c16-12-8-13(22(4-17-8)14-11(29)10(28)7(3-24)30-14)20-15(19-12)21-18-1-5(25)9(27)6(26)2-23/h1,4-7,9-11,14,23-29H,2-3H2,(H3,16,19,20,21)/b18-1+/t5-,6+,7-,9-,10-,11-,14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJWNCIYQWILMPY-VGNVNQILSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3