compound 8b [PMID: 22408719]

Ligand id: 9113

Name: compound 8b [PMID: 22408719]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 116.2
Molecular weight 539.19
XLogP 5.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Englund EE, Neumann S, Eliseeva E, McCoy JG, Titus S, Zheng W, Southall N, Shin P, Leister W, Thomas CJ et al.. (2011)
The Synthesis and Evaluation of Dihydroquinazolin-4-ones and Quinazolin-4-ones as Thyroid Stimulating Hormone Receptor Agonists.
Medchemcomm, 2 (10): 1016-1020. [PMID:22408719]