COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK295009
Chemical Name: 4-ethyl2-methyl3-methyl-5-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)sc(c1C)C(=O)OC

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Molecular Weight: 461.5
Empirical Formula: C21H23N3O7S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 6.858
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 3

     

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