General
Preferred name
PD070751
Synonyms
RO 26-4550 trifluoroacetate ()
Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate ()
P&D ID
PD070751
Tags
available
drug candidate
Drug Status
experimental
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
446.23
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
3.12
TPSA
112.0
Fraction CSP3
0.35
Chiral centers
2.0
Largest ring
6.0
QED
0.27
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
