General
Preferred name
Iodopropynyl butylcarbamate
Synonyms
IODOCARB ()
3-Iodo-2-propynyl Butylcarbamate ()
P&D ID
PD126843
CAS
104732-42-5
55406-53-6
Tags
drug candidate
natural product
available
Drug Status
experimental
investigational
Max Phase
Phase 2
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
280.99
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
1.91
TPSA
38.33
Fraction CSP3
0.62
Chiral centers
0.0
Largest ring
0.0
QED
0.49
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
