General
Preferred name
Primin
Synonyms
P&D ID
PD164130
CAS
15121-94-5
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
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
208.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
2.18
TPSA
43.37
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
