COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725106
Chemical Name: 2-(cyanomethyl)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl2-methylpropanoate
Smiles: N#CCN1C(=C(OC(=O)C(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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Molecular Weight: 410.45
Empirical Formula: C21H18N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.681
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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