General
Preferred name
PNU-159682
Synonyms
PNU 159682 ()
P&D ID
PD101273
CAS
202350-68-3
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
641.21
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
7
Aromatic Ring Count
2
cLogP
0.71
TPSA
190.75
Fraction CSP3
0.53
Chiral centers
8.0
Largest ring
6.0
QED
0.28
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)
Pathway
Antibody-drug Conjugate/ADC Related
Cell Cycle/DNA Damage
Target
ADC Cytotoxin
Topoisomerase
Source data
