General
Preferred name
CAPOBENIC ACID
Synonyms
Acide capobenique ()
CAPOBENATE SODIUM ()
NSC-230936 ()
NSC-759126 ()
C-3 ()
Capobenic acid sodium salt ()
P&D ID
PD000423
CAS
21434-91-3
27276-25-1
Tags
drug candidate
natural product
drug
available
Drug Status
approved
Drug indication
Cardiac Depressant (anti-arrhythmic)
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
8
ChEMBL Drugs
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
NPC Screening Collection
ReFrame library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
325.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
1
Aromatic Ring Count
1
cLogP
2.09
TPSA
94.09
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
