General
Preferred name
clostebol acetate
Synonyms
P&D ID
PD072378
CAS
855-19-6
Tags
available
drug
Drug Status
approved
experimental
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
22
Properties
(calculated by RDKit )
Molecular Weight
364.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
0
cLogP
5.02
TPSA
43.37
Fraction CSP3
0.81
Chiral centers
6.0
Largest ring
6.0
QED
0.61
Structural alerts
1
ene_one_hal(17)
[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]
PAINS Family B
Related compounds
Custom attributes
(extracted from source data)
Source data
