General
Preferred name
Cephalosporanic acid, 7-amino
Synonyms
7-ACA ()
7-AMINOCEPHALOSPORANIC ACID ()
P&D ID
PD012000
CAS
957-68-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 7-Aminocephalosporanic acid is an HSP90?? inhibitor used in the synthesis of cephalosporin antibiotics and their intermediates.
DESCRIPTION 7-Aminocephalosporanic acid is an HSP90β inhibitor used in the synthesis of cephalosporin antibiotics and their intermediates. (TargetMol Bioactive Compound Library)
Compound Sets
6
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
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
Custom attributes
(extracted from source data)
Target
HSP90β
antibiotic
Bacterial
Beta-lactamase
Antibiotics
MOA
beta lactamase inhibitor
Pathway
Cytoskeletal Signaling
Metabolism
Microbiology/virology
Anti-infection
Source data