General
Preferred name
methyl isocyanate
Synonyms
P&D ID
PD048592
CAS
624-83-9
30108-95-3
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
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
1
Organisms
0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
57.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.05
TPSA
29.43
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
