General
Preferred name
DEOXYADENOSINE
Synonyms
2'-Deoxyadenosine monohydrate ()
2'-deoxyadenosine ()
Deoxyadenosine ()
2?-Deoxyadenosine (hydrate) ()
P&D ID
PD046180
CAS
16373-93-6
40627-14-3
663188-78-1
958-09-8
Tags
drug candidate
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
Guide to Pharmacology
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
251.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.95
TPSA
119.31
Fraction CSP3
0.5
Chiral centers
3.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
