COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL125864
Chemical Name: 1-(4-{[(6-ethyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]methyl}phenyl)pyrrolidin-2-one
Smiles: CCN1c2ccccc2c2c(S1(=O)=O)cnc(n2)SCc1ccc(cc1)N1CCCC1=O

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Molecular Weight: 466.58
Empirical Formula: C23H22N4O3S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.413
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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