example 25 [WO2018228934]

Ligand id: 10201

Name: example 25 [WO2018228934]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 74.77
Molecular weight 356.18
XLogP 1.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3'S)-1'-({3',5'-dihydro-2'H-spiro[cyclopropane-1,4'-pyrido[3,2-b][1,4]oxazepin]-8'-yl}carbonyl)-[1,3'-bipyrrolidin]-2-one
Comments
Example 25 is a vanin 1 inhibitor that is claimed in patent WO/2018/228934 [1].
Database Links
CAS Registry No. 2254498-21-8
GtoPdb PubChem SID 381118911
Search Google for chemical match using the InChIKey UQONAEXHTGDOIH-AWEZNQCLSA-N
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Search UniChem for chemical match using the InChIKey UQONAEXHTGDOIH-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone UQONAEXHTGDOIH