General
Preferred name
PD047504
Synonyms
25I-NMBOMe (hydrochloride) ()
25I-NBOMe-d3 (hydrochloride) ()
25I-NBOMe-d3 (hydrochloride) (exempt preparation) ()
P&D ID
PD047504
CAS
1043868-97-8
2375621-19-3
Tags
available
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
427.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
2
cLogP
3.65
TPSA
39.72
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
