COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK119655
Chemical Name: 3-({(2E,5Z)-5-[3-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoicacid
Smiles: COC(=O)COc1c(Br)cc(cc1OC)/C=C/1\S/C(=N/c2cccc(c2)C(=O)O)/N(C1=O)CC

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Molecular Weight: 549.4
Empirical Formula: C23H21BrN2O7S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 4.567
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 140
Number of rings: 3

     

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