COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905057
Chemical Name: N,N-dimethyl-3-(4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide
Smiles: S=C1S/C(=C\c2cn(nc2c2cccc(c2)S(=O)(=O)N(C)C)c2ccccc2)/C(=O)N1CC1CCCO1

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Saltdata: 1/3CH3COOH
Molecular Weight: 554.72
Empirical Formula: C26H26N4O4S3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.061
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 150
Number of rings: 5

     

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