N(6)-cyclohexyladenosine   Click here for help

GtoPdb Ligand ID: 423

Abbreviated name: CHA
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 125.55
Molecular weight 349.18
XLogP 0.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CCCCC1
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCCC1
InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
InChI Key SZBULDQSDUXAPJ-XNIJJKJLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Database Links Click here for help
CAS Registry No. 36396-99-3 (source: Scifinder)
ChEMBL Ligand CHEMBL45891
GtoPdb PubChem SID 135650675
PubChem CID 9841284
Search Google for chemical match using the InChIKey SZBULDQSDUXAPJ-XNIJJKJLSA-N
Search Google for chemicals with the same backbone SZBULDQSDUXAPJ
Search UniChem for chemical match using the InChIKey SZBULDQSDUXAPJ-XNIJJKJLSA-N
Search UniChem for chemicals with the same backbone SZBULDQSDUXAPJ

Product suppliers

View disclaimer

Tocris
N6-Cyclohexyladenosine
Cat. No. 6863