compound 33 [PMID: 26230603]

Ligand id: 8732

Name: compound 33 [PMID: 26230603]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 117.8
Molecular weight 420.18
XLogP 1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[[(3R,4R)-3-[(1,1-dioxothian-4-yl)methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
Database Links
GtoPdb PubChem SID 252827390
PubChem CID 91826678
RCSB PDB Ligand YEJ
Search Google for chemical match using the InChIKey IMRGYBMGTASFSC-IAGOWNOFSA-N
Search Google for chemicals with the same backbone IMRGYBMGTASFSC
Search UniChem for chemical match using the InChIKey IMRGYBMGTASFSC-IAGOWNOFSA-N
Search UniChem for chemicals with the same backbone IMRGYBMGTASFSC
SynPHARM 82674 (in complex with ATPase family, AAA domain containing 2)