General
Preferred name
KYOTORPHIN
Synonyms
P&D ID
PD164594
CAS
70904-56-2
Tags
natural product
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
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
337.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
7
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.91
TPSA
174.55
Fraction CSP3
0.4
Chiral centers
2.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Bacterial
Endogenous Metabolite
Source data
