COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174110
Chemical Name: (4Z)-4-(4-butoxy-3-ethoxy-5-iodobenzylidene)-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCOc1c(I)cc(cc1OCC)/C=C\1/C(=NN(C1=O)c1ccccc1Cl)C

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Molecular Weight: 538.81
Empirical Formula: C23H24ClIN2O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.786
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 3

     

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