General
Preferred name
PD004971
Synonyms
2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE ()
P&D ID
PD004971
Tags
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 ]]
Compound Sets
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
429.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
3
cLogP
5.21
TPSA
73.99
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
