General
Preferred name
BENZOCTAMINE
Synonyms
BENZOCTAMINE HYDROCHLORIDE ()
Benzoctamina ()
BA-30803 ()
Benzoctamine hcl ()
P&D ID
PD009403
CAS
17243-39-9
10085-81-1
Tags
available
drug candidate
drug
Drug Status
approved
experimental
investigational
Max Phase
2.0
Drug indication
Anxiety
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
5
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
249.15
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
2
cLogP
3.43
TPSA
12.03
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
