COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231626
Chemical Name: methyl4-cyano-3-methyl-5-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)thiophene-2-carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1

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Molecular Weight: 414.44
Empirical Formula: C19H18N4O5S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 4.748
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 156
Number of rings: 3

     

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