COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK140722
Chemical Name: 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoicacid
Smiles: CCN1/C(=N/c2ccc(cc2)C(=O)O)/S/C(=C/c2ccc(c(c2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 411.44
Empirical Formula: C20H17N3O5S

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 5.383
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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