General
Preferred name
Dehydro Nifedipine
Synonyms
BAY-b 4759 ()
Dehydronifedipine ()
P&D ID
PD039364
CAS
67035-22-7
Tags
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
3
Cayman Chemical Bioactives
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
344.1
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
2.85
TPSA
108.63
Fraction CSP3
0.24
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Drug Metabolite
Source data
