COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL307694
Chemical Name: methyl4-[(E)-(3-{3-[benzyl(tert-butyl)amino]-3-oxopropyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCC(=O)N(C(C)(C)C)Cc1ccccc1

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Molecular Weight: 496.65
Empirical Formula: C26H28N2O4S2

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 4.196
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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