COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055712
Chemical Name: 2-{[(E)-(1-hexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-4-(methylsulfonyl)butanoicacid
Smiles: CCCCCCN1C(=NC(=O)/C(=C\NC(C(=O)O)CCS(=O)(=O)C)/C1=O)S

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Molecular Weight: 419.52
Empirical Formula: C16H25N3O6S2

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 1.891
Rotatable bonds: 12
H-donors: 2
H-acceptors: 6
PSA: 180
Number of rings: 1

     

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