COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL125923
Chemical Name: 3-({[6-(4-methylbenzyl)-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)Cc1ccc(cc1)C

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Molecular Weight: 484.6
Empirical Formula: C26H20N4O2S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.381
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 120
Number of rings: 5

     

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