COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823676
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(C)c(c(c1)C)O)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 334.4
Empirical Formula: C16H18N2O4S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 0.372
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 2

     

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