General
Preferred name
K252b
Synonyms
P&D ID
PD019662
CAS
99570-78-2
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
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
453.13
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
8
Aromatic Ring Count
5
cLogP
3.57
TPSA
105.72
Fraction CSP3
0.23
Chiral centers
3.0
Largest ring
7.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
