General
Preferred name
Napelline
Synonyms
P&D ID
PD053409
CAS
5008-52-6
Tags
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
1
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
359.25
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
6
Aromatic Ring Count
0
cLogP
1.79
TPSA
63.93
Fraction CSP3
0.91
Chiral centers
11.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
