COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442955
Chemical Name: (4Z)-4-[4-(benzyloxy)benzylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)N1N=C(/C(=C/c2ccc(cc2)OCc2ccccc2)/C1=O)C)[N+](=O)[O-]

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Molecular Weight: 447.88
Empirical Formula: C24H18ClN3O4

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 5.295
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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