COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816774
Chemical Name: (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[2-(hexyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCOc1ccccc1/C=C\1/SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 507.68
Empirical Formula: C27H29N3O3S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.735
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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