COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK705221
Chemical Name: (5Z)-5-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cc3c(o2)cccc3)c2ccccc2)/C1=O

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Molecular Weight: 515.7
Empirical Formula: C29H29N3O2S2

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 8.244
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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