COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111530
Chemical Name: 3-[(5E)-5-{4-[(3-carboxybenzyl)oxy]-3-chloro-5-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: COc1cc(cc(c1OCc1cccc(c1)C(=O)O)Cl)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)C(=O)O

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Molecular Weight: 556.02
Empirical Formula: C26H18ClNO7S2

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 6.079
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 170
Number of rings: 4

     

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