COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL125865
Chemical Name: 3-{[(6-ethyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]methyl}benzonitrile
Smiles: N#Cc1cccc(c1)CSc1ncc2c(n1)c1ccccc1N(S2(=O)=O)CC

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Molecular Weight: 408.5
Empirical Formula: C20H16N4O2S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.676
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 120
Number of rings: 4

     

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