COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809690
Chemical Name: 4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1

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Molecular Weight: 538.61
Empirical Formula: C25H22N4O6S2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 3.689
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 187
Number of rings: 4

     

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