COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064963
Chemical Name: 2-phenylethyl4-[({4-[(4-methoxyphenyl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoate
Smiles: COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)CCC(=O)OCCc1ccccc1

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Molecular Weight: 541.65
Empirical Formula: C26H27N3O6S2

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 4.472
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 163
Number of rings: 3

     

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