General
Preferred name
PD102025
Synonyms
P&D ID
PD102025
CAS
19389-88-9
157-07-3
462-64-6
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
1
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
175.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
5
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.3
TPSA
119.43
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
