COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK098340
Chemical Name: (4E)-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 491.93
Empirical Formula: C26H22ClN3O5

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 5.652
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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