Ligand Id: 2445
Ligand name cADPR

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 0
Topological polar surface area 266.2
Molecular weight 541.06
XLogP -4.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Summary Biological activity References Structure
Classification
Compound class Metabolite or derivative
IUPAC Name
(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8$l^{5},10$l^{5}-diphosphapentacyclo[18.3.1.1^{2,5}.1^{13,16}.0^{17,21}]hexacosa-18,20,22-triene-8,10-dione
Synonyms
cyclic ADP ribose
Database Links
CAS Registry No. 119340-53-3 (source: Scifinder)
PubChem CID 123847
RCSB PDB Ligand CXR
Search Google for chemical match using the InChIKey BQOHYSXSASDCEA-KEOHHSTQSA-N
Search Google for chemicals with the same backbone BQOHYSXSASDCEA
Wikipedia Cyclic_ADP-ribose

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