General
Preferred name
NEP-IN-2
Synonyms
Sch-42354 ()
P&D ID
PD099648
CAS
145775-14-0
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 ]]
Compound Sets
1
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
341.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
1
cLogP
2.41
TPSA
66.4
Fraction CSP3
0.5
Chiral centers
2.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Neprilysin
Source data
