General
Preferred name
Compound K
Synonyms
P&D ID
PD065212
CAS
39262-14-1
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
1
AdooQ Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
622.44
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
6
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
0
cLogP
4.32
TPSA
139.84
Fraction CSP3
0.94
Chiral centers
15.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
