COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881134
Chemical Name: (5Z)-3-butyl-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCC)c1ccccc1

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Molecular Weight: 507.74
Empirical Formula: C27H29N3OS3

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 7.597
Rotatable bonds: 7
H-donors: 0
H-acceptors: 1
PSA: 120
Number of rings: 4

     

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