General
Preferred name
PD017040
Synonyms
4-ANPP ()
4-ANPP-d5 ()
4-ANPP (CRM) ()
4-ANPP-13C6 ()
4-ANPP-13C6 (CRM) ()
4-ANPP-d5 (exempt preparation) ()
P&D ID
PD017040
CAS
21409-26-7
1189466-15-6
2748319-07-3
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
20
Properties
(calculated by RDKit )
Molecular Weight
280.19
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
3.81
TPSA
15.27
Fraction CSP3
0.37
Chiral centers
0.0
Largest ring
6.0
QED
0.9
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
