General
Preferred name
PD125550
Synonyms
25R-Inokosterone ()
P&D ID
PD125550
CAS
15130-85-5
19682-38-3
Tags
available
natural product
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
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
480.31
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
6
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
0
cLogP
1.71
TPSA
138.45
Fraction CSP3
0.89
Chiral centers
11.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
