COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728437
Chemical Name: (4Z)-4-(4-tert-butylbenzylidene)-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)N1N=C(/C(=C/c2ccc(cc2)C(C)(C)C)/C1=O)C)[N+](=O)[O-]

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Molecular Weight: 397.86
Empirical Formula: C21H20ClN3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.383
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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