COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK608291
Chemical Name: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}butanamide
Smiles: O=C(NC1C=CS(=O)(=O)C1)CCCN1C(=S)S/C(=C\C=C\c2ccccc2)/C1=O

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Molecular Weight: 448.59
Empirical Formula: C20H20N2O4S3

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 0.081
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 149
Number of rings: 3

     

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