COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK174715
Chemical Name: methyl4-({(2Z)-2-[(2Z)-3-butyl-2-(butylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetyl}amino)benzoate
Smiles: CCCCN1/C(=N/CCCC)/S/C(=C\C(=O)Nc2ccc(cc2)C(=O)OC)/C1=O

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Molecular Weight: 417.53
Empirical Formula: C21H27N3O4S

Physical State: Dry powder
Available Amount: 121 mg

Lipinsky:
logP: 3.858
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 2

     

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