COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK110982
Chemical Name: (4E)-4-{3-ethoxy-4-[(2-fluorobenzyl)oxy]-5-iodobenzylidene}-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/c1cc(I)c(c(c1)OCC)OCc1ccccc1F)c1ccccc1

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Molecular Weight: 584.43
Empirical Formula: C28H26FIN2O3

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 7.367
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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