General
Preferred name
MDMB-4en-PINACA
Synonyms
MDMB-4en-PINACA (CRM) ()
MDMB-4en-PINACA-d4 ()
MDMB-4en-PINACA-d4 (CRM) ()
P&D ID
PD131096
CAS
2504100-70-1
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
4
Properties
(calculated by RDKit )
Molecular Weight
357.21
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
3.32
TPSA
73.22
Fraction CSP3
0.45
Chiral centers
1.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
