General
Preferred name
CPD000466336
Synonyms
P&D ID
PD003140
CAS
182824-33-5
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
Bioprocess diversity set
NIH Clinical Collections (NCC)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
384.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
0
cLogP
2.6
TPSA
100.52
Fraction CSP3
0.89
Chiral centers
8.0
Largest ring
7.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Biological process
Cell polarity & morphogenesis
Source data
