COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536725
Chemical Name: ethyl2-[(chloroacetyl)amino]-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)CCl

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Molecular Weight: 411.83
Empirical Formula: C15H17ClF3N3O3S

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 5.974
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 1

     

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