COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706949
Chemical Name: (5Z)-3-(2-ethylhexyl)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OC)c2ccccc2)/C1=O)CC

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Molecular Weight: 505.71
Empirical Formula: C28H31N3O2S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 7.224
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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