General
Preferred name
pentacynium chloride
Synonyms
Pentacynium cation ()
Pentacynium ion ()
PENTACYNIUM ()
Pentacyone Chloride ()
Pentacynium Metilsulfate ()
P&D ID
PD072238
CAS
77-12-3
Tags
drug
drug candidate
Drug Status
approved
investigational
Max Phase
2.0
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
4
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
421.31
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
2
cLogP
4.22
TPSA
33.02
Fraction CSP3
0.52
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
