COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086414
Chemical Name: methyl4-{[(2E,5E)-5-(4-tert-butylbenzylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Smiles: CCN1/C(=N\c2ccc(cc2)C(=O)OC)/S/C(=C/c2ccc(cc2)C(C)(C)C)/C1=O

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Molecular Weight: 422.55
Empirical Formula: C24H26N2O3S

Physical State: Dry powder
Available Amount: 378 mg

Lipinsky:
logP: 7.012
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 84
Number of rings: 3

     

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