General
Preferred name
PD005853
Synonyms
N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE ()
P&D ID
PD005853
Tags
drug candidate
Drug Status
experimental
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
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
394.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
1
cLogP
3.09
TPSA
100.67
Fraction CSP3
0.47
Chiral centers
0.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
