COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823843
Chemical Name: 11-[(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoicacid
Smiles: OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)/C1=O

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Molecular Weight: 653.87
Empirical Formula: C37H39N3O4S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 8.604
Rotatable bonds: 14
H-donors: 1
H-acceptors: 4
PSA: 142
Number of rings: 5

     

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