General
Preferred name
DIAMIDE
Synonyms
N,N,N',N'-Tetramethylazodicarboxamide ()
P&D ID
PD015226
CAS
10465-78-8
Tags
drug candidate
covalent binder
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Thiol-oxidizing agent (LOPAC library)
Compound Sets
4
CovBinderInPDB
CBR003624
DrugMAP
DMOCQ9J
LOPAC library
TargetMol Bioactive Compound Library
T8941
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
172.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
0.8
TPSA
65.34
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.51
Structural alerts
1
azo_A(324)
[#7;!R]=[#7]
PAINS Family A
Custom attributes
(extracted from source data)
Selectivity
Thiols
Source data