General
Preferred name
Cephalosporanic acid, 7-amino
Synonyms
7-ACA ()
7-AMINOCEPHALOSPORANIC ACID ()
P&D ID
PD012000
CAS
957-68-6
Tags
available
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
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
272.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
0
cLogP
-0.87
TPSA
109.93
Fraction CSP3
0.5
Chiral centers
2.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
beta lactamase inhibitor
Pathway
Anti-infection
Target
antibiotic
Bacterial
Beta-lactamase
Antibiotics
Source data
