COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367483
Chemical Name: 2-[(4-{(E)-[3-(3,4-dichlorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-nitrophenyl)sulfanyl]ethylbenzoate
Smiles: O=C1S/C(=C/c2ccc(c(c2)[N+](=O)[O-])SCCOC(=O)c2ccccc2)/C(=O)N1Cc1ccc(c(c1)Cl)Cl

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Molecular Weight: 589.48
Empirical Formula: C26H18Cl2N2O6S2

Physical State: Dry powder
Available Amount: 437 mg

Lipinsky:
logP: 7.932
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 160
Number of rings: 4

     

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