General
Preferred name
Amicoumacin B
Synonyms
P&D ID
PD133510
CAS
7242-87-7
82768-33-0
77674-99-8
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
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
424.18
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
6
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.47
TPSA
179.41
Fraction CSP3
0.55
Chiral centers
5.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
