COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725107
Chemical Name: 2-(cyanomethyl)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-ylpentanoate
Smiles: CCCCC(=O)OC1=C(C(=O)c2ccccc2)N(CC#N)S(=O)(=O)c2c1cccc2

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Molecular Weight: 424.48
Empirical Formula: C22H20N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.396
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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