COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819351
Chemical Name: methyl(2Z)-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Smiles: COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/O2

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Molecular Weight: 467.44
Empirical Formula: C26H17N3O6

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 5.342
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 116
Number of rings: 5

     

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