COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815725
Chemical Name: (5Z)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\SC(=S)NC1=O)c1ccccc1

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Saltdata: 1/3CH3COOH
Molecular Weight: 438.49
Empirical Formula: C20H14N4O4S2

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 3.013
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 159
Number of rings: 4

     

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