COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810845
Chemical Name: (2Z)-6-benzyl-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: O=c1/c(=C/c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/sc2n1nc(Cc1ccccc1)c(=O)n2

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Molecular Weight: 534.55
Empirical Formula: C28H18N6O4S

Physical State: Dry powder
Available Amount: 186 mg

Lipinsky:
logP: 4.44
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 151
Number of rings: 6

     

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