General
Preferred name
PD136450
Synonyms
P&D ID
PD048733
CAS
139067-52-0
Tags
drug candidate
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
612.29
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
5
Rotatable Bonds
11
Ring Count
7
Aromatic Ring Count
3
cLogP
4.63
TPSA
149.62
Fraction CSP3
0.43
Chiral centers
2.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
