COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053504
Chemical Name: (5Z)-5-[4-(azepanium-1-yl)benzylidene]-1-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: CN1C(=NC(=O)/C(=C/c2ccc(cc2)[NH+]2CCCCCC2)/C1=O)[S-]

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Molecular Weight: 343.45
Empirical Formula: C18H21N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.672
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 54
Number of rings: 3

     

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