General
Preferred name
PD085652
Synonyms
7-ADCA ()
7-Aminodeacetoxycephalosporanic acid ()
7-Aminodesacetoxycephalosporanic acid ()
P&D ID
PD085652
CAS
22252-43-3
Tags
available
drug candidate
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
3
DrugBank
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
214.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
-0.41
TPSA
83.63
Fraction CSP3
0.5
Chiral centers
2.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Drug intermediate
Source data
