COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK108981
Chemical Name: methyl4-{[(2E,5E)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxybenzylidene}-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Br)/C=C\1/S/C(=N/c2ccc(cc2)C(=O)OC)/N(C1=O)CC

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Molecular Weight: 595.51
Empirical Formula: C29H27BrN2O5S

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 8.109
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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