COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041450
Chemical Name: (5Z)-5-[4-(azepanium-1-yl)benzylidene]-1-cyclohexyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C\c1ccc(cc1)[NH+]1CCCCCC1)C1CCCCC1

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Molecular Weight: 411.57
Empirical Formula: C23H29N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.732
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 54
Number of rings: 4

     

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