General
Preferred name
CORALYNE
Synonyms
Coralyne chloride hydrate ()
Coralyne (chloride) ()
P&D ID
PD053420
CAS
38989-38-7
6872-73-7
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
2
MedChem Express Bioactive Compound Library
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
364.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
4
cLogP
4.07
TPSA
41.02
Fraction CSP3
0.23
Chiral centers
0.0
Largest ring
6.0
QED
0.31
Structural alerts
1
het_pyridiniums_B(2)
[#6]:1:2:[!#1]:[#7+](:[!#1]:[#6;!H0,$([#6]-[*])](:[!#1]:1:[#6]:[#6]:[#6]:[#6]:2))~[#6]:[#6]
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
Target
Topoisomerase
Source data
