General
Preferred name
PALBINONE
Synonyms
P&D ID
PD120083
CAS
139954-00-0
Tags
available
drug candidate
natural product
Drug indication
Discovery agent
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
DrugMAP
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
358.21
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
3.75
TPSA
74.6
Fraction CSP3
0.73
Chiral centers
6.0
Largest ring
6.0
QED
0.65
Structural alerts
1
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
