General
Preferred name
Canagliflozin hemihydrate
Synonyms
CANAGLIFLOZIN HYDRATE ()
Canagliflozin ()
P&D ID
PD038095
CAS
928672-86-0
Tags
natural product
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
3
Enamine BioReference Compounds
LSP-MoA library (Laboratory of Systems Pharmacology)
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
906.29
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
8
Rotatable Bonds
10
Ring Count
8
Aromatic Ring Count
6
cLogP
5.11
TPSA
211.8
Fraction CSP3
0.33
Chiral centers
10.0
Largest ring
6.0
QED
0.09
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
SGLT
Source data
