COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK766964
Chemical Name: ethyl3-(acetylamino)-4,6-dinitro-1-benzothiophene-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=O)C)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 353.31
Empirical Formula: C13H11N3O7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.666
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 2

     

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