COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445314
Chemical Name: ethyl4-cyano-5-[({[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc([nH]1)c1ccccc1OCC

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Molecular Weight: 471.56
Empirical Formula: C21H21N5O4S2

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 4.793
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 183
Number of rings: 3

     

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