COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054100
Chemical Name: (5Z)-5-[4-(azepanium-1-yl)benzylidene]-4,6-dioxo-1-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C/c2ccc(cc2)[NH+]2CCCCCC2)/C1=O)[S-]

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Molecular Weight: 369.49
Empirical Formula: C20H23N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.538
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 54
Number of rings: 3

     

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