COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL016014
Chemical Name: ethyl(2Z)-5-amino-2-(4-nitrobenzylidene)-7-(4-nitrophenyl)-3-oxo-6-(phenylsulfonyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Smiles: CCOC(=O)C1=c2s/c(=C\c3ccc(cc3)[N+](=O)[O-])/c(=O)n2C(=C(C1c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c1ccccc1)N

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Molecular Weight: 634.65
Empirical Formula: C29H22N4O9S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.85
Rotatable bonds: 4
H-donors: 2
H-acceptors: 9
PSA: 232
Number of rings: 5

     

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