COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701996
Chemical Name: 2-{(3Z)-3-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)C2CCS(=O)(=O)C2)/C1=O

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Saltdata: 1/3CH3COOH
Molecular Weight: 557.67
Empirical Formula: C25H23N3O6S3

Physical State: Dry powder
Available Amount: 348 mg

Lipinsky:
logP: 0.423
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 178
Number of rings: 5

     

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