COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK802739
Chemical Name: ethyl4-cyano-3-methyl-5-({[3-nitro-4-(piperidin-1-yl)phenyl]carbonyl}amino)thiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1

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Molecular Weight: 442.5
Empirical Formula: C21H22N4O5S

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 5.843
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 156
Number of rings: 3

     

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