General
Preferred name
DOPAL
Synonyms
3,4-dihydroxyphenylacetaldehyde ()
P&D ID
PD017232
CAS
5707-55-1
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
7
Cayman Chemical Bioactives
18448
Concise Guide to Pharmacology 2017/18
6632
Concise Guide to Pharmacology 2019/20
6632
Concise Guide to Pharmacology 2021/22
6632
Concise Guide to Pharmacology 2023/24
6632
DrugMAP
DM7N3MX
Guide to Pharmacology
6632
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
152.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.84
TPSA
57.53
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data