General
Preferred name
Ro 41-0960
Synonyms
P&D ID
PD014871
CAS
125628-97-9
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ro 41-0960 is a selective catechol-O-methyltransferase(COMT) inhibitor[1].
DESCRIPTION Specific, reversible, orally-active COMT-inhibitor (LOPAC library)
Cell lines
0
Organisms
3
Compound Sets
3
Cayman Chemical Bioactives
29621
LOPAC library
MedChem Express Bioactive Compound Library
HY-125339
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
277.04
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.38
TPSA
100.67
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.39
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
COMT
Pathway
Metabolic Enzyme/Protease
Neuronal Signaling
Source data