COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762838
Chemical Name: ethyl2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-N-(dimethylcarbamoyl)-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)N(C)C

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Molecular Weight: 406.43
Empirical Formula: C16H21F3N4O3S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 6.621
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 1

     

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