COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881071
Chemical Name: (5Z)-3-hexyl-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)SCCC)c2ccccc2)/C1=O

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Molecular Weight: 521.77
Empirical Formula: C28H31N3OS3

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 8.129
Rotatable bonds: 8
H-donors: 0
H-acceptors: 1
PSA: 120
Number of rings: 4

     

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