COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK122163
Chemical Name: diethyl2,5-bis{[(3,5-dinitrophenyl)carbonyl]amino}thiophene-3,4-dicarboxylate
Smiles: CCOC(=O)c1c(sc(c1C(=O)OCC)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 646.5
Empirical Formula: C24H18N6O14S

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 7.461
Rotatable bonds: 6
H-donors: 2
H-acceptors: 14
PSA: 322
Number of rings: 3

     

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