COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542291
Chemical Name: methyl2-(acetylamino)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)C

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Molecular Weight: 363.36
Empirical Formula: C14H16F3N3O3S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 5.123
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 1

     

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