COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808872
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 334.35
Empirical Formula: C15H14N2O5S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 0.11
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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