COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058328
Chemical Name: 1-(butan-2-yl)-6-oxo-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-4-olate
Smiles: CCC(n1c(S)nc(c(c1=O)C1OC(=O)c2c1cccc2)[O-])C

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Saltdata: NH4+
Molecular Weight: 331.37
Empirical Formula: C16H15N2O4S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.952
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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