General
Preferred name
Dipentamethylenethiuram disulfide
Synonyms
Bis(1-piperidylthiocarbonyl)disulfide ()
DICYCLOPENTAMETHYLENETHIURAM DISULFIDE ()
NSC-527035 ()
BIS(PIPERIDINYLTHIOCARBONYL)DISULFIDE ()
P&D ID
PD013993
CAS
94-37-1
Tags
covalent binder
drug
available
Drug Status
experimental
approved
Drug indication
Discovery agent
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 ]]
Cell lines
3
Organisms
0
Compound Sets
7
CovalentInDB
DrugBank
DrugBank Approved Drugs
DrugMAP
DrugMatrix
NCATS Inxight Approved Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
320.05
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
3.91
TPSA
6.48
Fraction CSP3
0.83
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
