COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL141735
Chemical Name: methyl2-{[({5-[(4-bromophenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1ncc(c(=O)[nH]1)S(=O)(=O)c1ccc(cc1)Br

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Molecular Weight: 538.4
Empirical Formula: C20H16BrN3O6S2

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 3.569
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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