General
Preferred name
LAGOCHILINE
Synonyms
LAGOCHILIN ()
P&D ID
PD029087
CAS
23554-81-6
Tags
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
2
Cayman Chemical Bioactives
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
356.26
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
0
cLogP
1.85
TPSA
90.15
Fraction CSP3
1.0
Chiral centers
7.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
