COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK704085
Chemical Name: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/C(=O)N1Cc1ccc2c(c1)OCO2

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Molecular Weight: 542.6
Empirical Formula: C27H18N4O5S2

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 5.145
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 159
Number of rings: 6

     

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