COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742049
Chemical Name: (4Z)-4-(4-chlorobenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)/C=C/1\C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 403.82
Empirical Formula: C22H14ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.635
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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