General
Preferred name
NITROCEFIN
Synonyms
P&D ID
PD016324
CAS
41906-86-9
Tags
available
drug candidate
covalent binder
Drug Status
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 ]]
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
516.04
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
2
cLogP
2.56
TPSA
172.99
Fraction CSP3
0.19
Chiral centers
2.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
antibiotic
Beta-lactamase
Source data
