COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904559
Chemical Name: (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCCCC2)c2ccccc2)/C(=O)N1C

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Molecular Weight: 538.72
Empirical Formula: C26H26N4O3S3

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 4.622
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 141
Number of rings: 5

     

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