General Information of the Compound
Compound ID
CP0200365
Compound Name
(2R,3R,4S,5R)-2-(6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    Show/Hide
Structure
Formula
C10H14N6O4
Molecular Weight
282.26
Canonical SMILES
NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
    Show/Hide
InChI
InChI=1S/C10H14N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10,17-19H,1,11H2,(H,12,13,15)/t4-,6-,7-,10-/m1/s1
    Show/Hide
InChIKey
DGKZTAGCCXJUAT-KQYNXXCUSA-N
Physicochemical Property
logP
-2.2766
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
151.57
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
10
Complexity
20

"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
CID: 7075199
SID: 49683450
ChEMBL ID
CHEMBL236757
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: PT01827, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 16900 nM
   TI
   LI
   LO
   TS