General
Preferred name
PD057306
Synonyms
Penotrane ()
P&D ID
PD057306
CAS
12040-56-1
14235-86-0
Tags
contains metal
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
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
984.04
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
6
Aromatic Ring Count
6
cLogP
5.64
TPSA
86.74
Fraction CSP3
0.03
Chiral centers
0.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
