COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701600
Chemical Name: 4-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl3-nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 602.65
Empirical Formula: C29H22N4O7S2

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 4.343
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 182
Number of rings: 5

     

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