COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811256
Chemical Name: 3-[(5Z)-5-({3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: C=CCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC(=O)O)c1ccccc1

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Saltdata: 1/4CH3COOH
Molecular Weight: 505.62
Empirical Formula: C26H23N3O4S2

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 4.81
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 142
Number of rings: 4

     

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