COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK763365
Chemical Name: ethylN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)OCC

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Molecular Weight: 407.41
Empirical Formula: C16H20F3N3O4S

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 7.243
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 1

     

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