General
Preferred name
AR-C133057XX
Synonyms
4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile ()
P&D ID
PD005702
CAS
268730-08-1
Tags
drug candidate
natural product
Drug indication
Discovery agent
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 ]]
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free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
336.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
2.68
TPSA
78.25
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.93
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
