COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK703710
Chemical Name: (5Z)-3-(butan-2-yl)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)/C1=O)C

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Molecular Weight: 505.71
Empirical Formula: C28H31N3O2S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 7.09
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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