COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK729781
Chemical Name: diethyl(2Z)-5-amino-2-(4-nitrobenzylidene)-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Smiles: CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OCC)s/c(=C\c1ccc(cc1)[N+](=O)[O-])/c2=O

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Molecular Weight: 566.55
Empirical Formula: C26H22N4O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.225
Rotatable bonds: 6
H-donors: 2
H-acceptors: 9
PSA: 215
Number of rings: 4

     

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