COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049464
Chemical Name: 2-({(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)-4-(methylsulfonyl)butanoicacid
Smiles: Clc1ccc(cc1)N1C(=NC(=O)/C(=C\NC(C(=O)O)CCS(=O)(=O)C)/C1=O)S

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Molecular Weight: 445.9
Empirical Formula: C16H16ClN3O6S2

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.581
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 180
Number of rings: 2

     

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